data_15655 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15655 _Entry.Title ; Solution structure of CopK, a periplasmic protein involved in copper resistance in Cupriavidus metallidurans CH34 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-12 _Entry.Accession_date 2008-02-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Beate Bersch . . . 15655 2 Adrien Favier . . . 15655 3 Paul Schanda . . . 15655 4 Jacques Coves . . . 15655 5 Sebastien 'van Aelst' . . . 15655 6 Tatiana Vallaeys . . . 15655 7 Ruddy Wattiez . . . 15655 8 Max Mergeay . . . 15655 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15655 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID copper . 15655 'heavy metal resistance' . 15655 'open barrel' . 15655 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15655 heteronucl_NOEs 1 15655 heteronucl_T1_relaxation 1 15655 heteronucl_T2_relaxation 1 15655 H_exch_rates 1 15655 RDCs 1 15655 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 15655 '15N chemical shifts' 77 15655 '1H chemical shifts' 519 15655 'heteronuclear NOE values' 68 15655 'H exchange rates' 63 15655 'residual dipolar couplings' 133 15655 'T1 relaxation values' 62 15655 'T1rho relaxation values' 65 15655 'T2 relaxation values' 63 15655 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 4 . . 2011-04-05 2008-02-12 update BMRB 'update H exchange rate table' 15655 3 . . 2010-12-15 2008-02-12 update BMRB 'update value format' 15655 2 . . 2008-07-07 2008-02-12 update BMRB 'complete entry citation' 15655 1 . . 2008-05-22 2008-02-12 original author 'original release' 15655 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15655 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18533181 _Citation.Full_citation . _Citation.Title ; Molecular structure and metal-binding properties of the periplasmic CopK protein expressed in Cupriavidus metallidurans CH34 during copper challenge ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 380 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 386 _Citation.Page_last 403 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Beate Bersch . . . 15655 1 2 Adrien Favier . . . 15655 1 3 Paul Schanda . . . 15655 1 4 Sebastien 'van Aelst' . . . 15655 1 5 Tatiana Vallaeys . . . 15655 1 6 Jacques Coves . . . 15655 1 7 Max Mergeay . . . 15655 1 8 Ruddy Wattiez . . . 15655 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 15655 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16735739 _Citation.Full_citation . _Citation.Title 'Transcriptomic and proteomic analyses of the pMOL30-encoded copper resistance in Cupriavidus metallidurans strain CH3' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Microbiology _Citation.Journal_name_full . _Citation.Journal_volume 152 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1765 _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sebastien Monchy . . . 15655 2 2 Mohammed Benotmane . A. . 15655 2 3 Ruddy Wattiez . . . 15655 2 4 Sebastien 'van Aelst' . . . 15655 2 5 Vanessa Auquier . . . 15655 2 6 Brigitte Borremans . . . 15655 2 7 Max Mergeay . . . 15655 2 8 Safiyh Taghavi . . . 15655 2 9 Daniel 'van der Lelie' . . . 15655 2 10 Tatiana Vallaeys . . . 15655 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15655 _Assembly.ID 1 _Assembly.Name CopK _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16600 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CopK_A 1 $CopK A . yes native no no 1 . 'homodimer subunit' 15655 1 2 CopK_B 1 $CopK A . yes native no no 1 . 'homodimer subunit' 15655 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'periplasmic copper detoxification' 15655 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CopK _Entity.Sf_category entity _Entity.Sf_framecode CopK _Entity.Entry_ID 15655 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CopK _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VDMSNVVKTYDLQDGSKVHV FKDGKMGMENKFGKSMNMPE GKVMETRDGTKIIMKGNEIF RLDEALRKGHSEGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Val1 to Gly74' _Entity.Polymer_author_seq_details 'sequence of processed protein as recovered from E. coli periplasm' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16408 . "periplasmic CopK protein" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 15655 1 2 no BMRB 17716 . Cu(I)Cu(II)-CopK . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 15655 1 3 no PDB 2K0Q . "Solution Structure Of Copk, A Periplasmic Protein Involved In Copper Resistance In Cupriavidus Metallidurans Ch34" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 15655 1 4 no PDB 2KM0 . "Cu(I)-Bound Copk" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 15655 1 5 no PDB 2LEL . "Structure Of Cu(I)cu(Ii)-Copk From Cupriavidus Metallidurans Ch34" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 15655 1 6 no PDB 3DSO . "Crystal Structure Of Cu(I) Bound Copper Resistance Protein Copk" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 15655 1 7 no PDB 3DSP . "Crystal Structure Of Apo Copper Resistance Protein Copk" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 15655 1 8 no PDB 3N7D . "Crystal Structure Of Copk Bound To Cu(I) And Cu(Ii)" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 15655 1 9 no PDB 3N7E . "Crystal Structure Of Copk Bound To Cu(Ii)" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 15655 1 10 no EMBL CAI11334 . "hypothetical protein [Cupriavidus metallidurans CH34]" . . . . . 100.00 94 100.00 100.00 5.84e-45 . . . . 15655 1 11 no GB ABF12967 . "CopK Cu(I) binding protein [Cupriavidus metallidurans CH34]" . . . . . 100.00 94 100.00 100.00 5.84e-45 . . . . 15655 1 12 no GB EKZ95342 . "hypothetical protein D769_30839 [Cupriavidus sp. HMR-1]" . . . . . 100.00 94 100.00 100.00 5.84e-45 . . . . 15655 1 13 no REF WP_008652571 . "MULTISPECIES: copper resistance protein K [Cupriavidus]" . . . . . 100.00 94 100.00 100.00 5.84e-45 . . . . 15655 1 14 no REF YP_145685 . "hypothetical protein pMOL30_153 [Cupriavidus metallidurans CH34]" . . . . . 100.00 94 100.00 100.00 5.84e-45 . . . . 15655 1 15 no SP Q58AD3 . "RecName: Full=Copper resistance protein K; Flags: Precursor" . . . . . 100.00 94 100.00 100.00 5.84e-45 . . . . 15655 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'periplasmic copper detoxification' 15655 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . VAL . 15655 1 2 . ASP . 15655 1 3 . MET . 15655 1 4 . SER . 15655 1 5 . ASN . 15655 1 6 . VAL . 15655 1 7 . VAL . 15655 1 8 . LYS . 15655 1 9 . THR . 15655 1 10 . TYR . 15655 1 11 . ASP . 15655 1 12 . LEU . 15655 1 13 . GLN . 15655 1 14 . ASP . 15655 1 15 . GLY . 15655 1 16 . SER . 15655 1 17 . LYS . 15655 1 18 . VAL . 15655 1 19 . HIS . 15655 1 20 . VAL . 15655 1 21 . PHE . 15655 1 22 . LYS . 15655 1 23 . ASP . 15655 1 24 . GLY . 15655 1 25 . LYS . 15655 1 26 . MET . 15655 1 27 . GLY . 15655 1 28 . MET . 15655 1 29 . GLU . 15655 1 30 . ASN . 15655 1 31 . LYS . 15655 1 32 . PHE . 15655 1 33 . GLY . 15655 1 34 . LYS . 15655 1 35 . SER . 15655 1 36 . MET . 15655 1 37 . ASN . 15655 1 38 . MET . 15655 1 39 . PRO . 15655 1 40 . GLU . 15655 1 41 . GLY . 15655 1 42 . LYS . 15655 1 43 . VAL . 15655 1 44 . MET . 15655 1 45 . GLU . 15655 1 46 . THR . 15655 1 47 . ARG . 15655 1 48 . ASP . 15655 1 49 . GLY . 15655 1 50 . THR . 15655 1 51 . LYS . 15655 1 52 . ILE . 15655 1 53 . ILE . 15655 1 54 . MET . 15655 1 55 . LYS . 15655 1 56 . GLY . 15655 1 57 . ASN . 15655 1 58 . GLU . 15655 1 59 . ILE . 15655 1 60 . PHE . 15655 1 61 . ARG . 15655 1 62 . LEU . 15655 1 63 . ASP . 15655 1 64 . GLU . 15655 1 65 . ALA . 15655 1 66 . LEU . 15655 1 67 . ARG . 15655 1 68 . LYS . 15655 1 69 . GLY . 15655 1 70 . HIS . 15655 1 71 . SER . 15655 1 72 . GLU . 15655 1 73 . GLY . 15655 1 74 . GLY . 15655 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . VAL 1 1 15655 1 . ASP 2 2 15655 1 . MET 3 3 15655 1 . SER 4 4 15655 1 . ASN 5 5 15655 1 . VAL 6 6 15655 1 . VAL 7 7 15655 1 . LYS 8 8 15655 1 . THR 9 9 15655 1 . TYR 10 10 15655 1 . ASP 11 11 15655 1 . LEU 12 12 15655 1 . GLN 13 13 15655 1 . ASP 14 14 15655 1 . GLY 15 15 15655 1 . SER 16 16 15655 1 . LYS 17 17 15655 1 . VAL 18 18 15655 1 . HIS 19 19 15655 1 . VAL 20 20 15655 1 . PHE 21 21 15655 1 . LYS 22 22 15655 1 . ASP 23 23 15655 1 . GLY 24 24 15655 1 . LYS 25 25 15655 1 . MET 26 26 15655 1 . GLY 27 27 15655 1 . MET 28 28 15655 1 . GLU 29 29 15655 1 . ASN 30 30 15655 1 . LYS 31 31 15655 1 . PHE 32 32 15655 1 . GLY 33 33 15655 1 . LYS 34 34 15655 1 . SER 35 35 15655 1 . MET 36 36 15655 1 . ASN 37 37 15655 1 . MET 38 38 15655 1 . PRO 39 39 15655 1 . GLU 40 40 15655 1 . GLY 41 41 15655 1 . LYS 42 42 15655 1 . VAL 43 43 15655 1 . MET 44 44 15655 1 . GLU 45 45 15655 1 . THR 46 46 15655 1 . ARG 47 47 15655 1 . ASP 48 48 15655 1 . GLY 49 49 15655 1 . THR 50 50 15655 1 . LYS 51 51 15655 1 . ILE 52 52 15655 1 . ILE 53 53 15655 1 . MET 54 54 15655 1 . LYS 55 55 15655 1 . GLY 56 56 15655 1 . ASN 57 57 15655 1 . GLU 58 58 15655 1 . ILE 59 59 15655 1 . PHE 60 60 15655 1 . ARG 61 61 15655 1 . LEU 62 62 15655 1 . ASP 63 63 15655 1 . GLU 64 64 15655 1 . ALA 65 65 15655 1 . LEU 66 66 15655 1 . ARG 67 67 15655 1 . LYS 68 68 15655 1 . GLY 69 69 15655 1 . HIS 70 70 15655 1 . SER 71 71 15655 1 . GLU 72 72 15655 1 . GLY 73 73 15655 1 . GLY 74 74 15655 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15655 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CopK . 119219 plasmid . 'Cupriavidus metallidurans CH34' 'Cupriavidus metallidurans' . . Bacteria . Cupriavidus metallidurans . . . . . . . . . . . . . . . . . . 'pMol30 plasmid encoded' . . 15655 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15655 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CopK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET30 . . . 'cloned with native signal, export to E. coli periplasm' . . 15655 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15655 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.0 (all samples)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CopK '[U-100% 13C; U-100% 15N]' . . 1 $CopK . . 1.5 . . mM 0.2 . . . 15655 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15655 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15655 1 4 MES 'natural abundance' . . . . . . 50 . . mM . . . . 15655 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15655 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CopK '[U-100% 15N]' . . 1 $CopK . . 1.5 . . mM 0.2 . . . 15655 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15655 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15655 2 4 MES 'natural abundance' . . . . . . 50 . . mM . . . . 15655 2 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15655 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CopK 'natural abundance' . . 1 $CopK . . 1.5 . . mM 0.2 . . . 15655 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15655 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15655 3 4 MES 'natural abundance' . . . . . . 50 . . mM . . . . 15655 3 5 C12E5 'natural abundance' . . . . . . 5 . . % . . . . 15655 3 6 hexanol 'natural abundance' . . . . . . 5 . . % . . . . 15655 3 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15655 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CopK 'natural abundance' . . 1 $CopK . . 1.5 . . mM 0.2 . . . 15655 4 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15655 4 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15655 4 4 MES 'natural abundance' . . . . . . 50 . . mM . . . . 15655 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 15655 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.0 (all samples)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CopK '[U-100% 15N]' . . 1 $CopK . . 0.5 . . mM 0.05 . . . 15655 5 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15655 5 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15655 5 4 MES 'natural abundance' . . . . . . 50 . . mM . . . . 15655 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15655 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 15655 1 pH 6.0 . pH 15655 1 pressure 1 . atm 15655 1 temperature 298 1 K 15655 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15655 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15655 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15655 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15655 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15655 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15655 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15655 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15655 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15655 3 'data analysis' 15655 3 'peak picking' 15655 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15655 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15655 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15655 4 'peak picking' 15655 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15655 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15655 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15655 5 stop_ save_ save_Tensor _Software.Sf_category software _Software.Sf_framecode Tensor _Software.Entry_ID 15655 _Software.ID 6 _Software.Name Tensor _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dosset, Blackledge' . http://www.ibs.fr/ext/labos/LRMN/softs/ 15655 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15655 6 stop_ save_ save_Module _Software.Sf_category software _Software.Sf_framecode Module _Software.Entry_ID 15655 _Software.ID 7 _Software.Name Module _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dosset, Blackledge' . http://www.ibs.fr/ext/labos/LRMN/softs/ 15655 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15655 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15655 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15655 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '+ cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DirectDrive _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15655 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details '+ cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15655 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15655 1 2 spectrometer_2 Varian DirectDrive . 600 '+ cryoprobe' . . 15655 1 3 spectrometer_3 Varian INOVA . 800 '+ cryoprobe' . . 15655 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15655 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15655 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15655 1 3 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15655 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15655 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15655 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15655 1 7 '3D HNCO-type' no . . . . . . . . . . 3 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15655 1 8 relaxation no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15655 1 9 '3D 15N NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15655 1 10 2D-Sofast no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15655 1 11 relaxation no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15655 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15655 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0 na indirect 0.25144953 . . . . . . . . . 15655 1 H 1 water protons . . . . ppm 4.75 internal direct 1.0 . . . . . . . . . 15655 1 N 15 water protons . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 15655 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15655 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15655 1 2 '3D HNCACB' . . . 15655 1 4 '3D C(CO)NH' . . . 15655 1 5 '3D HCCH-TOCSY' . . . 15655 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $NMRView . . 15655 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL HA H 1 3.66 0.02 . 1 . . . . 1 VAL HA . 15655 1 2 . 1 1 1 1 VAL HB H 1 1.97 0.02 . 1 . . . . 1 VAL HB . 15655 1 3 . 1 1 1 1 VAL HG11 H 1 0.68 0.02 . 2 . . . . 1 VAL HG11 . 15655 1 4 . 1 1 1 1 VAL HG12 H 1 0.68 0.02 . 2 . . . . 1 VAL HG11 . 15655 1 5 . 1 1 1 1 VAL HG13 H 1 0.68 0.02 . 2 . . . . 1 VAL HG11 . 15655 1 6 . 1 1 1 1 VAL HG21 H 1 0.68 0.02 . 2 . . . . 1 VAL HG21 . 15655 1 7 . 1 1 1 1 VAL HG22 H 1 0.68 0.02 . 2 . . . . 1 VAL HG21 . 15655 1 8 . 1 1 1 1 VAL HG23 H 1 0.68 0.02 . 2 . . . . 1 VAL HG21 . 15655 1 9 . 1 1 1 1 VAL C C 13 171.21 0.15 . 1 . . . . 1 VAL C . 15655 1 10 . 1 1 1 1 VAL CA C 13 61.62 0.15 . 1 . . . . 1 VAL CA . 15655 1 11 . 1 1 1 1 VAL CB C 13 32.80 0.15 . 1 . . . . 1 VAL CB . 15655 1 12 . 1 1 1 1 VAL CG1 C 13 20.18 0.15 . 1 . . . . 1 VAL CG1 . 15655 1 13 . 1 1 1 1 VAL CG2 C 13 20.18 0.15 . 1 . . . . 1 VAL CG2 . 15655 1 14 . 1 1 2 2 ASP H H 1 8.48 0.02 . 1 . . . . 2 ASP HN . 15655 1 15 . 1 1 2 2 ASP HA H 1 4.61 0.02 . 1 . . . . 2 ASP HA . 15655 1 16 . 1 1 2 2 ASP HB2 H 1 2.51 0.02 . 2 . . . . 2 ASP HB1 . 15655 1 17 . 1 1 2 2 ASP HB3 H 1 2.77 0.02 . 2 . . . . 2 ASP HB2 . 15655 1 18 . 1 1 2 2 ASP C C 13 176.64 0.15 . 1 . . . . 2 ASP C . 15655 1 19 . 1 1 2 2 ASP CA C 13 53.47 0.15 . 1 . . . . 2 ASP CA . 15655 1 20 . 1 1 2 2 ASP CB C 13 40.35 0.15 . 1 . . . . 2 ASP CB . 15655 1 21 . 1 1 2 2 ASP N N 15 124.33 0.15 . 1 . . . . 2 ASP N . 15655 1 22 . 1 1 3 3 MET H H 1 8.65 0.02 . 1 . . . . 3 MET HN . 15655 1 23 . 1 1 3 3 MET HA H 1 4.32 0.02 . 1 . . . . 3 MET HA . 15655 1 24 . 1 1 3 3 MET HB2 H 1 2.05 0.02 . 2 . . . . 3 MET HB1 . 15655 1 25 . 1 1 3 3 MET HB3 H 1 1.93 0.02 . 2 . . . . 3 MET HB2 . 15655 1 26 . 1 1 3 3 MET HE1 H 1 1.86 0.02 . 1 . . . . 3 MET HE1 . 15655 1 27 . 1 1 3 3 MET HE2 H 1 1.86 0.02 . 1 . . . . 3 MET HE1 . 15655 1 28 . 1 1 3 3 MET HE3 H 1 1.86 0.02 . 1 . . . . 3 MET HE1 . 15655 1 29 . 1 1 3 3 MET HG2 H 1 2.65 0.02 . 2 . . . . 3 MET HG1 . 15655 1 30 . 1 1 3 3 MET HG3 H 1 2.42 0.02 . 2 . . . . 3 MET HG2 . 15655 1 31 . 1 1 3 3 MET C C 13 178.42 0.15 . 1 . . . . 3 MET C . 15655 1 32 . 1 1 3 3 MET CA C 13 55.46 0.15 . 1 . . . . 3 MET CA . 15655 1 33 . 1 1 3 3 MET CB C 13 30.63 0.15 . 1 . . . . 3 MET CB . 15655 1 34 . 1 1 3 3 MET CE C 13 16.13 0.15 . 1 . . . . 3 MET CE . 15655 1 35 . 1 1 3 3 MET CG C 13 32.01 0.15 . 1 . . . . 3 MET CG . 15655 1 36 . 1 1 3 3 MET N N 15 124.40 0.15 . 1 . . . . 3 MET N . 15655 1 37 . 1 1 4 4 SER H H 1 8.48 0.02 . 1 . . . . 4 SER HN . 15655 1 38 . 1 1 4 4 SER HA H 1 4.20 0.02 . 1 . . . . 4 SER HA . 15655 1 39 . 1 1 4 4 SER HB2 H 1 3.84 0.02 . 2 . . . . 4 SER HB1 . 15655 1 40 . 1 1 4 4 SER HB3 H 1 3.84 0.02 . 2 . . . . 4 SER HB2 . 15655 1 41 . 1 1 4 4 SER C C 13 174.85 0.15 . 1 . . . . 4 SER C . 15655 1 42 . 1 1 4 4 SER CA C 13 60.95 0.15 . 1 . . . . 4 SER CA . 15655 1 43 . 1 1 4 4 SER CB C 13 62.98 0.15 . 1 . . . . 4 SER CB . 15655 1 44 . 1 1 4 4 SER N N 15 116.77 0.15 . 1 . . . . 4 SER N . 15655 1 45 . 1 1 5 5 ASN H H 1 8.02 0.02 . 1 . . . . 5 ASN HN . 15655 1 46 . 1 1 5 5 ASN HA H 1 4.91 0.02 . 1 . . . . 5 ASN HA . 15655 1 47 . 1 1 5 5 ASN HB2 H 1 3.07 0.02 . 2 . . . . 5 ASN HB1 . 15655 1 48 . 1 1 5 5 ASN HB3 H 1 2.69 0.02 . 2 . . . . 5 ASN HB2 . 15655 1 49 . 1 1 5 5 ASN HD21 H 1 7.37 0.02 . 2 . . . . 5 ASN HD21 . 15655 1 50 . 1 1 5 5 ASN HD22 H 1 6.79 0.02 . 2 . . . . 5 ASN HD22 . 15655 1 51 . 1 1 5 5 ASN C C 13 174.36 0.15 . 1 . . . . 5 ASN C . 15655 1 52 . 1 1 5 5 ASN CA C 13 52.60 0.15 . 1 . . . . 5 ASN CA . 15655 1 53 . 1 1 5 5 ASN CB C 13 39.84 0.15 . 1 . . . . 5 ASN CB . 15655 1 54 . 1 1 5 5 ASN N N 15 117.92 0.15 . 1 . . . . 5 ASN N . 15655 1 55 . 1 1 5 5 ASN ND2 N 15 112.65 0.15 . 1 . . . . 5 ASN ND2 . 15655 1 56 . 1 1 6 6 VAL H H 1 7.46 0.02 . 1 . . . . 6 VAL HN . 15655 1 57 . 1 1 6 6 VAL HA H 1 3.93 0.02 . 1 . . . . 6 VAL HA . 15655 1 58 . 1 1 6 6 VAL HB H 1 1.90 0.02 . 1 . . . . 6 VAL HB . 15655 1 59 . 1 1 6 6 VAL HG11 H 1 0.69 0.02 . 4 . . . . 6 VAL HG11 . 15655 1 60 . 1 1 6 6 VAL HG12 H 1 0.69 0.02 . 4 . . . . 6 VAL HG12 . 15655 1 61 . 1 1 6 6 VAL HG13 H 1 0.69 0.02 . 4 . . . . 6 VAL HG12 . 15655 1 62 . 1 1 6 6 VAL HG21 H 1 0.69 0.02 . 4 . . . . 6 VAL HG21 . 15655 1 63 . 1 1 6 6 VAL HG22 H 1 0.69 0.02 . 4 . . . . 6 VAL HG21 . 15655 1 64 . 1 1 6 6 VAL HG23 H 1 0.69 0.02 . 4 . . . . 6 VAL HG21 . 15655 1 65 . 1 1 6 6 VAL C C 13 176.23 0.15 . 1 . . . . 6 VAL C . 15655 1 66 . 1 1 6 6 VAL CA C 13 63.41 0.15 . 1 . . . . 6 VAL CA . 15655 1 67 . 1 1 6 6 VAL CB C 13 33.16 0.15 . 1 . . . . 6 VAL CB . 15655 1 68 . 1 1 6 6 VAL CG1 C 13 23.05 0.15 . 2 . . . . 6 VAL CG1 . 15655 1 69 . 1 1 6 6 VAL CG2 C 13 22.33 0.15 . 2 . . . . 6 VAL CG2 . 15655 1 70 . 1 1 6 6 VAL N N 15 121.39 0.15 . 1 . . . . 6 VAL N . 15655 1 71 . 1 1 7 7 VAL H H 1 9.16 0.02 . 1 . . . . 7 VAL HN . 15655 1 72 . 1 1 7 7 VAL HA H 1 4.20 0.02 . 1 . . . . 7 VAL HA . 15655 1 73 . 1 1 7 7 VAL HB H 1 1.91 0.02 . 1 . . . . 7 VAL HB . 15655 1 74 . 1 1 7 7 VAL HG11 H 1 0.81 0.02 . 4 . . . . 7 VAL HG11 . 15655 1 75 . 1 1 7 7 VAL HG12 H 1 0.81 0.02 . 4 . . . . 7 VAL HG12 . 15655 1 76 . 1 1 7 7 VAL HG13 H 1 0.81 0.02 . 4 . . . . 7 VAL HG12 . 15655 1 77 . 1 1 7 7 VAL HG21 H 1 0.72 0.02 . 4 . . . . 7 VAL HG21 . 15655 1 78 . 1 1 7 7 VAL HG22 H 1 0.72 0.02 . 4 . . . . 7 VAL HG21 . 15655 1 79 . 1 1 7 7 VAL HG23 H 1 0.72 0.02 . 4 . . . . 7 VAL HG21 . 15655 1 80 . 1 1 7 7 VAL C C 13 175.46 0.15 . 1 . . . . 7 VAL C . 15655 1 81 . 1 1 7 7 VAL CA C 13 62.24 0.15 . 1 . . . . 7 VAL CA . 15655 1 82 . 1 1 7 7 VAL CB C 13 33.03 0.15 . 1 . . . . 7 VAL CB . 15655 1 83 . 1 1 7 7 VAL CG1 C 13 21.41 0.15 . 2 . . . . 7 VAL CG1 . 15655 1 84 . 1 1 7 7 VAL CG2 C 13 20.23 0.15 . 2 . . . . 7 VAL CG2 . 15655 1 85 . 1 1 7 7 VAL N N 15 123.47 0.15 . 1 . . . . 7 VAL N . 15655 1 86 . 1 1 8 8 LYS H H 1 7.36 0.02 . 1 . . . . 8 LYS HN . 15655 1 87 . 1 1 8 8 LYS HA H 1 4.29 0.02 . 1 . . . . 8 LYS HA . 15655 1 88 . 1 1 8 8 LYS HB2 H 1 1.62 0.02 . 2 . . . . 8 LYS HB1 . 15655 1 89 . 1 1 8 8 LYS HB3 H 1 1.33 0.02 . 2 . . . . 8 LYS HB2 . 15655 1 90 . 1 1 8 8 LYS HD2 H 1 1.38 0.02 . 2 . . . . 8 LYS HD1 . 15655 1 91 . 1 1 8 8 LYS HD3 H 1 1.38 0.02 . 2 . . . . 8 LYS HD2 . 15655 1 92 . 1 1 8 8 LYS HE2 H 1 2.49 0.02 . 2 . . . . 8 LYS HE1 . 15655 1 93 . 1 1 8 8 LYS HE3 H 1 2.29 0.02 . 2 . . . . 8 LYS HE2 . 15655 1 94 . 1 1 8 8 LYS HG2 H 1 0.82 0.02 . 2 . . . . 8 LYS HG1 . 15655 1 95 . 1 1 8 8 LYS HG3 H 1 0.82 0.02 . 2 . . . . 8 LYS HG2 . 15655 1 96 . 1 1 8 8 LYS C C 13 172.61 0.15 . 1 . . . . 8 LYS C . 15655 1 97 . 1 1 8 8 LYS CA C 13 56.04 0.15 . 1 . . . . 8 LYS CA . 15655 1 98 . 1 1 8 8 LYS CB C 13 35.87 0.15 . 1 . . . . 8 LYS CB . 15655 1 99 . 1 1 8 8 LYS CD C 13 28.95 0.15 . 1 . . . . 8 LYS CD . 15655 1 100 . 1 1 8 8 LYS CE C 13 41.90 0.15 . 1 . . . . 8 LYS CE . 15655 1 101 . 1 1 8 8 LYS CG C 13 24.73 0.15 . 1 . . . . 8 LYS CG . 15655 1 102 . 1 1 8 8 LYS N N 15 120.93 0.15 . 1 . . . . 8 LYS N . 15655 1 103 . 1 1 9 9 THR H H 1 8.15 0.02 . 1 . . . . 9 THR HN . 15655 1 104 . 1 1 9 9 THR HA H 1 5.26 0.02 . 1 . . . . 9 THR HA . 15655 1 105 . 1 1 9 9 THR HB H 1 3.52 0.02 . 1 . . . . 9 THR HB . 15655 1 106 . 1 1 9 9 THR HG21 H 1 0.93 0.02 . 1 . . . . 9 THR HG21 . 15655 1 107 . 1 1 9 9 THR HG22 H 1 0.93 0.02 . 1 . . . . 9 THR HG21 . 15655 1 108 . 1 1 9 9 THR HG23 H 1 0.93 0.02 . 1 . . . . 9 THR HG21 . 15655 1 109 . 1 1 9 9 THR C C 13 173.79 0.15 . 1 . . . . 9 THR C . 15655 1 110 . 1 1 9 9 THR CA C 13 61.62 0.15 . 1 . . . . 9 THR CA . 15655 1 111 . 1 1 9 9 THR CB C 13 72.00 0.15 . 1 . . . . 9 THR CB . 15655 1 112 . 1 1 9 9 THR CG2 C 13 22.36 0.15 . 1 . . . . 9 THR CG2 . 15655 1 113 . 1 1 9 9 THR N N 15 121.62 0.15 . 1 . . . . 9 THR N . 15655 1 114 . 1 1 10 10 TYR H H 1 9.53 0.02 . 1 . . . . 10 TYR HN . 15655 1 115 . 1 1 10 10 TYR HA H 1 4.55 0.02 . 1 . . . . 10 TYR HA . 15655 1 116 . 1 1 10 10 TYR HB2 H 1 2.62 0.02 . 2 . . . . 10 TYR HB1 . 15655 1 117 . 1 1 10 10 TYR HB3 H 1 2.45 0.02 . 2 . . . . 10 TYR HB2 . 15655 1 118 . 1 1 10 10 TYR HD1 H 1 6.82 0.02 . 3 . . . . 10 TYR HD1 . 15655 1 119 . 1 1 10 10 TYR HD2 H 1 6.82 0.02 . 3 . . . . 10 TYR HD2 . 15655 1 120 . 1 1 10 10 TYR HE1 H 1 6.46 0.02 . 3 . . . . 10 TYR HE1 . 15655 1 121 . 1 1 10 10 TYR HE2 H 1 6.46 0.02 . 3 . . . . 10 TYR HE2 . 15655 1 122 . 1 1 10 10 TYR C C 13 174.13 0.15 . 1 . . . . 10 TYR C . 15655 1 123 . 1 1 10 10 TYR CA C 13 56.63 0.15 . 1 . . . . 10 TYR CA . 15655 1 124 . 1 1 10 10 TYR CB C 13 39.74 0.15 . 1 . . . . 10 TYR CB . 15655 1 125 . 1 1 10 10 TYR N N 15 125.56 0.15 . 1 . . . . 10 TYR N . 15655 1 126 . 1 1 11 11 ASP H H 1 8.84 0.02 . 1 . . . . 11 ASP HN . 15655 1 127 . 1 1 11 11 ASP HA H 1 4.80 0.02 . 1 . . . . 11 ASP HA . 15655 1 128 . 1 1 11 11 ASP HB2 H 1 2.57 0.02 . 2 . . . . 11 ASP HB1 . 15655 1 129 . 1 1 11 11 ASP HB3 H 1 2.50 0.02 . 2 . . . . 11 ASP HB2 . 15655 1 130 . 1 1 11 11 ASP C C 13 175.86 0.15 . 1 . . . . 11 ASP C . 15655 1 131 . 1 1 11 11 ASP CA C 13 54.01 0.15 . 1 . . . . 11 ASP CA . 15655 1 132 . 1 1 11 11 ASP CB C 13 41.71 0.15 . 1 . . . . 11 ASP CB . 15655 1 133 . 1 1 11 11 ASP N N 15 125.09 0.15 . 1 . . . . 11 ASP N . 15655 1 134 . 1 1 12 12 LEU H H 1 8.68 0.02 . 1 . . . . 12 LEU HN . 15655 1 135 . 1 1 12 12 LEU HA H 1 4.68 0.02 . 1 . . . . 12 LEU HA . 15655 1 136 . 1 1 12 12 LEU HB2 H 1 1.93 0.02 . 2 . . . . 12 LEU HB1 . 15655 1 137 . 1 1 12 12 LEU HB3 H 1 1.61 0.02 . 2 . . . . 12 LEU HB2 . 15655 1 138 . 1 1 12 12 LEU HD11 H 1 0.78 0.02 . 2 . . . . 12 LEU HD11 . 15655 1 139 . 1 1 12 12 LEU HD12 H 1 0.78 0.02 . 2 . . . . 12 LEU HD11 . 15655 1 140 . 1 1 12 12 LEU HD13 H 1 0.78 0.02 . 2 . . . . 12 LEU HD11 . 15655 1 141 . 1 1 12 12 LEU HD21 H 1 0.51 0.02 . 4 . . . . 12 LEU HD21 . 15655 1 142 . 1 1 12 12 LEU HD22 H 1 0.51 0.02 . 4 . . . . 12 LEU HD21 . 15655 1 143 . 1 1 12 12 LEU HD23 H 1 0.51 0.02 . 4 . . . . 12 LEU HD21 . 15655 1 144 . 1 1 12 12 LEU HG H 1 1.46 0.02 . 1 . . . . 12 LEU HG . 15655 1 145 . 1 1 12 12 LEU C C 13 179.05 0.15 . 1 . . . . 12 LEU C . 15655 1 146 . 1 1 12 12 LEU CA C 13 54.55 0.15 . 1 . . . . 12 LEU CA . 15655 1 147 . 1 1 12 12 LEU CB C 13 40.66 0.15 . 1 . . . . 12 LEU CB . 15655 1 148 . 1 1 12 12 LEU CD1 C 13 26.20 0.15 . 2 . . . . 12 LEU CD1 . 15655 1 149 . 1 1 12 12 LEU CD2 C 13 22.79 0.15 . 2 . . . . 12 LEU CD2 . 15655 1 150 . 1 1 12 12 LEU CG C 13 27.60 0.15 . 1 . . . . 12 LEU CG . 15655 1 151 . 1 1 12 12 LEU N N 15 123.47 0.15 . 1 . . . . 12 LEU N . 15655 1 152 . 1 1 13 13 GLN H H 1 8.37 0.02 . 1 . . . . 13 GLN HN . 15655 1 153 . 1 1 13 13 GLN HA H 1 3.85 0.02 . 1 . . . . 13 GLN HA . 15655 1 154 . 1 1 13 13 GLN HB2 H 1 1.97 0.02 . 2 . . . . 13 GLN HB1 . 15655 1 155 . 1 1 13 13 GLN HB3 H 1 1.82 0.02 . 2 . . . . 13 GLN HB2 . 15655 1 156 . 1 1 13 13 GLN HE21 H 1 7.31 0.02 . 2 . . . . 13 GLN HE21 . 15655 1 157 . 1 1 13 13 GLN HE22 H 1 6.68 0.02 . 2 . . . . 13 GLN HE22 . 15655 1 158 . 1 1 13 13 GLN HG2 H 1 2.31 0.02 . 2 . . . . 13 GLN HG1 . 15655 1 159 . 1 1 13 13 GLN HG3 H 1 2.23 0.02 . 2 . . . . 13 GLN HG2 . 15655 1 160 . 1 1 13 13 GLN C C 13 176.01 0.15 . 1 . . . . 13 GLN C . 15655 1 161 . 1 1 13 13 GLN CA C 13 58.88 0.15 . 1 . . . . 13 GLN CA . 15655 1 162 . 1 1 13 13 GLN CB C 13 28.45 0.15 . 1 . . . . 13 GLN CB . 15655 1 163 . 1 1 13 13 GLN CG C 13 33.25 0.15 . 1 . . . . 13 GLN CG . 15655 1 164 . 1 1 13 13 GLN N N 15 121.16 0.15 . 1 . . . . 13 GLN N . 15655 1 165 . 1 1 13 13 GLN NE2 N 15 110.80 0.15 . 1 . . . . 13 GLN NE2 . 15655 1 166 . 1 1 14 14 ASP H H 1 7.93 0.02 . 1 . . . . 14 ASP HN . 15655 1 167 . 1 1 14 14 ASP HA H 1 4.41 0.02 . 1 . . . . 14 ASP HA . 15655 1 168 . 1 1 14 14 ASP HB2 H 1 3.02 0.02 . 2 . . . . 14 ASP HB1 . 15655 1 169 . 1 1 14 14 ASP HB3 H 1 2.55 0.02 . 2 . . . . 14 ASP HB2 . 15655 1 170 . 1 1 14 14 ASP C C 13 177.11 0.15 . 1 . . . . 14 ASP C . 15655 1 171 . 1 1 14 14 ASP CA C 13 53.58 0.15 . 1 . . . . 14 ASP CA . 15655 1 172 . 1 1 14 14 ASP CB C 13 39.87 0.15 . 1 . . . . 14 ASP CB . 15655 1 173 . 1 1 14 14 ASP N N 15 115.61 0.15 . 1 . . . . 14 ASP N . 15655 1 174 . 1 1 15 15 GLY H H 1 7.79 0.02 . 1 . . . . 15 GLY HN . 15655 1 175 . 1 1 15 15 GLY HA2 H 1 4.24 0.02 . 2 . . . . 15 GLY HA1 . 15655 1 176 . 1 1 15 15 GLY HA3 H 1 3.67 0.02 . 2 . . . . 15 GLY HA2 . 15655 1 177 . 1 1 15 15 GLY C C 13 174.56 0.15 . 1 . . . . 15 GLY C . 15655 1 178 . 1 1 15 15 GLY CA C 13 45.05 0.15 . 1 . . . . 15 GLY CA . 15655 1 179 . 1 1 15 15 GLY N N 15 107.98 0.15 . 1 . . . . 15 GLY N . 15655 1 180 . 1 1 16 16 SER H H 1 8.03 0.02 . 1 . . . . 16 SER HN . 15655 1 181 . 1 1 16 16 SER HA H 1 4.41 0.02 . 1 . . . . 16 SER HA . 15655 1 182 . 1 1 16 16 SER HB2 H 1 3.94 0.02 . 2 . . . . 16 SER HB1 . 15655 1 183 . 1 1 16 16 SER HB3 H 1 3.82 0.02 . 2 . . . . 16 SER HB2 . 15655 1 184 . 1 1 16 16 SER C C 13 172.37 0.15 . 1 . . . . 16 SER C . 15655 1 185 . 1 1 16 16 SER CA C 13 59.07 0.15 . 1 . . . . 16 SER CA . 15655 1 186 . 1 1 16 16 SER CB C 13 64.05 0.15 . 1 . . . . 16 SER CB . 15655 1 187 . 1 1 16 16 SER N N 15 116.77 0.15 . 1 . . . . 16 SER N . 15655 1 188 . 1 1 17 17 LYS H H 1 8.84 0.02 . 1 . . . . 17 LYS HN . 15655 1 189 . 1 1 17 17 LYS HA H 1 5.13 0.02 . 1 . . . . 17 LYS HA . 15655 1 190 . 1 1 17 17 LYS HB2 H 1 1.24 0.02 . 2 . . . . 17 LYS HB1 . 15655 1 191 . 1 1 17 17 LYS HB3 H 1 1.07 0.02 . 2 . . . . 17 LYS HB2 . 15655 1 192 . 1 1 17 17 LYS HD2 H 1 1.53 0.02 . 2 . . . . 17 LYS HD1 . 15655 1 193 . 1 1 17 17 LYS HD3 H 1 1.53 0.02 . 2 . . . . 17 LYS HD2 . 15655 1 194 . 1 1 17 17 LYS HE2 H 1 2.90 0.02 . 2 . . . . 17 LYS HE1 . 15655 1 195 . 1 1 17 17 LYS HE3 H 1 2.90 0.02 . 2 . . . . 17 LYS HE2 . 15655 1 196 . 1 1 17 17 LYS HG2 H 1 1.36 0.02 . 2 . . . . 17 LYS HG1 . 15655 1 197 . 1 1 17 17 LYS HG3 H 1 1.24 0.02 . 2 . . . . 17 LYS HG2 . 15655 1 198 . 1 1 17 17 LYS C C 13 174.88 0.15 . 1 . . . . 17 LYS C . 15655 1 199 . 1 1 17 17 LYS CA C 13 55.25 0.15 . 1 . . . . 17 LYS CA . 15655 1 200 . 1 1 17 17 LYS CB C 13 37.64 0.15 . 1 . . . . 17 LYS CB . 15655 1 201 . 1 1 17 17 LYS CD C 13 29.82 0.15 . 1 . . . . 17 LYS CD . 15655 1 202 . 1 1 17 17 LYS CE C 13 42.45 0.15 . 1 . . . . 17 LYS CE . 15655 1 203 . 1 1 17 17 LYS CG C 13 25.34 0.15 . 1 . . . . 17 LYS CG . 15655 1 204 . 1 1 17 17 LYS N N 15 118.85 0.15 . 1 . . . . 17 LYS N . 15655 1 205 . 1 1 18 18 VAL H H 1 8.54 0.02 . 1 . . . . 18 VAL HN . 15655 1 206 . 1 1 18 18 VAL HA H 1 4.44 0.02 . 1 . . . . 18 VAL HA . 15655 1 207 . 1 1 18 18 VAL HB H 1 1.88 0.02 . 1 . . . . 18 VAL HB . 15655 1 208 . 1 1 18 18 VAL HG11 H 1 0.85 0.02 . 4 . . . . 18 VAL HG11 . 15655 1 209 . 1 1 18 18 VAL HG12 H 1 0.85 0.02 . 4 . . . . 18 VAL HG11 . 15655 1 210 . 1 1 18 18 VAL HG13 H 1 0.85 0.02 . 4 . . . . 18 VAL HG11 . 15655 1 211 . 1 1 18 18 VAL HG21 H 1 0.79 0.02 . 4 . . . . 18 VAL HG21 . 15655 1 212 . 1 1 18 18 VAL HG22 H 1 0.79 0.02 . 4 . . . . 18 VAL HG21 . 15655 1 213 . 1 1 18 18 VAL HG23 H 1 0.79 0.02 . 4 . . . . 18 VAL HG21 . 15655 1 214 . 1 1 18 18 VAL C C 13 174.22 0.15 . 1 . . . . 18 VAL C . 15655 1 215 . 1 1 18 18 VAL CA C 13 60.98 0.15 . 1 . . . . 18 VAL CA . 15655 1 216 . 1 1 18 18 VAL CB C 13 34.54 0.15 . 1 . . . . 18 VAL CB . 15655 1 217 . 1 1 18 18 VAL CG1 C 13 21.57 0.15 . 2 . . . . 18 VAL CG1 . 15655 1 218 . 1 1 18 18 VAL CG2 C 13 20.75 0.15 . 2 . . . . 18 VAL CG2 . 15655 1 219 . 1 1 18 18 VAL N N 15 120.70 0.15 . 1 . . . . 18 VAL N . 15655 1 220 . 1 1 19 19 HIS H H 1 9.08 0.02 . 1 . . . . 19 HIS HN . 15655 1 221 . 1 1 19 19 HIS HA H 1 5.27 0.02 . 1 . . . . 19 HIS HA . 15655 1 222 . 1 1 19 19 HIS HB2 H 1 2.38 0.02 . 2 . . . . 19 HIS HB1 . 15655 1 223 . 1 1 19 19 HIS HB3 H 1 2.22 0.02 . 2 . . . . 19 HIS HB2 . 15655 1 224 . 1 1 19 19 HIS HD2 H 1 6.70 0.02 . 3 . . . . 19 HIS HD2 . 15655 1 225 . 1 1 19 19 HIS HE1 H 1 7.62 0.02 . 3 . . . . 19 HIS HE1 . 15655 1 226 . 1 1 19 19 HIS C C 13 173.72 0.15 . 1 . . . . 19 HIS C . 15655 1 227 . 1 1 19 19 HIS CA C 13 54.21 0.15 . 1 . . . . 19 HIS CA . 15655 1 228 . 1 1 19 19 HIS CB C 13 33.47 0.15 . 1 . . . . 19 HIS CB . 15655 1 229 . 1 1 19 19 HIS N N 15 125.09 0.15 . 1 . . . . 19 HIS N . 15655 1 230 . 1 1 20 20 VAL H H 1 8.82 0.02 . 1 . . . . 20 VAL HN . 15655 1 231 . 1 1 20 20 VAL HA H 1 4.33 0.02 . 1 . . . . 20 VAL HA . 15655 1 232 . 1 1 20 20 VAL HB H 1 1.87 0.02 . 1 . . . . 20 VAL HB . 15655 1 233 . 1 1 20 20 VAL HG11 H 1 0.96 0.02 . 2 . . . . 20 VAL HG11 . 15655 1 234 . 1 1 20 20 VAL HG12 H 1 0.96 0.02 . 2 . . . . 20 VAL HG11 . 15655 1 235 . 1 1 20 20 VAL HG13 H 1 0.96 0.02 . 2 . . . . 20 VAL HG11 . 15655 1 236 . 1 1 20 20 VAL HG21 H 1 0.92 0.02 . 2 . . . . 20 VAL HG21 . 15655 1 237 . 1 1 20 20 VAL HG22 H 1 0.92 0.02 . 2 . . . . 20 VAL HG21 . 15655 1 238 . 1 1 20 20 VAL HG23 H 1 0.92 0.02 . 2 . . . . 20 VAL HG21 . 15655 1 239 . 1 1 20 20 VAL C C 13 175.83 0.15 . 1 . . . . 20 VAL C . 15655 1 240 . 1 1 20 20 VAL CA C 13 61.65 0.15 . 1 . . . . 20 VAL CA . 15655 1 241 . 1 1 20 20 VAL CB C 13 32.93 0.15 . 1 . . . . 20 VAL CB . 15655 1 242 . 1 1 20 20 VAL CG1 C 13 21.07 0.15 . 1 . . . . 20 VAL CG1 . 15655 1 243 . 1 1 20 20 VAL CG2 C 13 20.78 0.15 . 1 . . . . 20 VAL CG2 . 15655 1 244 . 1 1 20 20 VAL N N 15 121.39 0.15 . 1 . . . . 20 VAL N . 15655 1 245 . 1 1 21 21 PHE H H 1 9.08 0.02 . 1 . . . . 21 PHE HN . 15655 1 246 . 1 1 21 21 PHE HA H 1 5.35 0.02 . 1 . . . . 21 PHE HA . 15655 1 247 . 1 1 21 21 PHE HB2 H 1 3.33 0.02 . 2 . . . . 21 PHE HB1 . 15655 1 248 . 1 1 21 21 PHE HB3 H 1 3.10 0.02 . 2 . . . . 21 PHE HB2 . 15655 1 249 . 1 1 21 21 PHE HD1 H 1 6.96 0.02 . 3 . . . . 21 PHE HD1 . 15655 1 250 . 1 1 21 21 PHE HD2 H 1 6.96 0.02 . 3 . . . . 21 PHE HD2 . 15655 1 251 . 1 1 21 21 PHE HE1 H 1 7.05 0.02 . 3 . . . . 21 PHE HE1 . 15655 1 252 . 1 1 21 21 PHE HE2 H 1 7.05 0.02 . 3 . . . . 21 PHE HE2 . 15655 1 253 . 1 1 21 21 PHE C C 13 178.35 0.15 . 1 . . . . 21 PHE C . 15655 1 254 . 1 1 21 21 PHE CA C 13 57.57 0.15 . 1 . . . . 21 PHE CA . 15655 1 255 . 1 1 21 21 PHE CB C 13 40.88 0.15 . 1 . . . . 21 PHE CB . 15655 1 256 . 1 1 21 21 PHE N N 15 126.02 0.15 . 1 . . . . 21 PHE N . 15655 1 257 . 1 1 22 22 LYS H H 1 8.58 0.02 . 1 . . . . 22 LYS HN . 15655 1 258 . 1 1 22 22 LYS HA H 1 3.88 0.02 . 1 . . . . 22 LYS HA . 15655 1 259 . 1 1 22 22 LYS HB2 H 1 1.84 0.02 . 2 . . . . 22 LYS HB1 . 15655 1 260 . 1 1 22 22 LYS HB3 H 1 1.84 0.02 . 2 . . . . 22 LYS HB2 . 15655 1 261 . 1 1 22 22 LYS HD2 H 1 1.68 0.02 . 2 . . . . 22 LYS HD1 . 15655 1 262 . 1 1 22 22 LYS HD3 H 1 1.68 0.02 . 2 . . . . 22 LYS HD2 . 15655 1 263 . 1 1 22 22 LYS HE2 H 1 2.90 0.02 . 2 . . . . 22 LYS HE1 . 15655 1 264 . 1 1 22 22 LYS HE3 H 1 2.90 0.02 . 2 . . . . 22 LYS HE2 . 15655 1 265 . 1 1 22 22 LYS HG2 H 1 1.37 0.02 . 2 . . . . 22 LYS HG1 . 15655 1 266 . 1 1 22 22 LYS HG3 H 1 1.37 0.02 . 2 . . . . 22 LYS HG2 . 15655 1 267 . 1 1 22 22 LYS C C 13 176.19 0.15 . 1 . . . . 22 LYS C . 15655 1 268 . 1 1 22 22 LYS CA C 13 59.45 0.15 . 1 . . . . 22 LYS CA . 15655 1 269 . 1 1 22 22 LYS CB C 13 32.94 0.15 . 1 . . . . 22 LYS CB . 15655 1 270 . 1 1 22 22 LYS CD C 13 29.70 0.15 . 1 . . . . 22 LYS CD . 15655 1 271 . 1 1 22 22 LYS CE C 13 42.17 0.15 . 1 . . . . 22 LYS CE . 15655 1 272 . 1 1 22 22 LYS CG C 13 25.88 0.15 . 1 . . . . 22 LYS CG . 15655 1 273 . 1 1 22 22 LYS N N 15 120.70 0.15 . 1 . . . . 22 LYS N . 15655 1 274 . 1 1 23 23 ASP H H 1 8.04 0.02 . 1 . . . . 23 ASP HN . 15655 1 275 . 1 1 23 23 ASP HA H 1 4.49 0.02 . 1 . . . . 23 ASP HA . 15655 1 276 . 1 1 23 23 ASP HB2 H 1 3.01 0.02 . 2 . . . . 23 ASP HB1 . 15655 1 277 . 1 1 23 23 ASP HB3 H 1 2.56 0.02 . 2 . . . . 23 ASP HB2 . 15655 1 278 . 1 1 23 23 ASP C C 13 177.11 0.15 . 1 . . . . 23 ASP C . 15655 1 279 . 1 1 23 23 ASP CA C 13 53.24 0.15 . 1 . . . . 23 ASP CA . 15655 1 280 . 1 1 23 23 ASP CB C 13 39.92 0.15 . 1 . . . . 23 ASP CB . 15655 1 281 . 1 1 23 23 ASP N N 15 115.61 0.15 . 1 . . . . 23 ASP N . 15655 1 282 . 1 1 24 24 GLY H H 1 8.15 0.02 . 1 . . . . 24 GLY HN . 15655 1 283 . 1 1 24 24 GLY HA2 H 1 4.26 0.02 . 2 . . . . 24 GLY HA1 . 15655 1 284 . 1 1 24 24 GLY HA3 H 1 3.59 0.02 . 2 . . . . 24 GLY HA2 . 15655 1 285 . 1 1 24 24 GLY C C 13 174.57 0.15 . 1 . . . . 24 GLY C . 15655 1 286 . 1 1 24 24 GLY CA C 13 45.24 0.15 . 1 . . . . 24 GLY CA . 15655 1 287 . 1 1 24 24 GLY N N 15 108.44 0.15 . 1 . . . . 24 GLY N . 15655 1 288 . 1 1 25 25 LYS H H 1 7.65 0.02 . 1 . . . . 25 LYS HN . 15655 1 289 . 1 1 25 25 LYS HA H 1 4.41 0.02 . 1 . . . . 25 LYS HA . 15655 1 290 . 1 1 25 25 LYS HB2 H 1 1.97 0.02 . 2 . . . . 25 LYS HB1 . 15655 1 291 . 1 1 25 25 LYS HB3 H 1 1.87 0.02 . 2 . . . . 25 LYS HB2 . 15655 1 292 . 1 1 25 25 LYS HD2 H 1 1.60 0.02 . 2 . . . . 25 LYS HD1 . 15655 1 293 . 1 1 25 25 LYS HD3 H 1 1.60 0.02 . 2 . . . . 25 LYS HD2 . 15655 1 294 . 1 1 25 25 LYS HE2 H 1 2.87 0.02 . 2 . . . . 25 LYS HE1 . 15655 1 295 . 1 1 25 25 LYS HE3 H 1 2.87 0.02 . 2 . . . . 25 LYS HE2 . 15655 1 296 . 1 1 25 25 LYS HG2 H 1 1.41 0.02 . 2 . . . . 25 LYS HG1 . 15655 1 297 . 1 1 25 25 LYS HG3 H 1 1.30 0.02 . 2 . . . . 25 LYS HG2 . 15655 1 298 . 1 1 25 25 LYS C C 13 174.40 0.15 . 1 . . . . 25 LYS C . 15655 1 299 . 1 1 25 25 LYS CA C 13 56.49 0.15 . 1 . . . . 25 LYS CA . 15655 1 300 . 1 1 25 25 LYS CB C 13 33.08 0.15 . 1 . . . . 25 LYS CB . 15655 1 301 . 1 1 25 25 LYS CD C 13 28.90 0.15 . 1 . . . . 25 LYS CD . 15655 1 302 . 1 1 25 25 LYS CE C 13 42.24 0.15 . 1 . . . . 25 LYS CE . 15655 1 303 . 1 1 25 25 LYS CG C 13 25.93 0.15 . 1 . . . . 25 LYS CG . 15655 1 304 . 1 1 25 25 LYS N N 15 119.54 0.15 . 1 . . . . 25 LYS N . 15655 1 305 . 1 1 26 26 MET H H 1 8.37 0.02 . 1 . . . . 26 MET HN . 15655 1 306 . 1 1 26 26 MET HA H 1 5.53 0.02 . 1 . . . . 26 MET HA . 15655 1 307 . 1 1 26 26 MET HB2 H 1 1.95 0.02 . 2 . . . . 26 MET HB1 . 15655 1 308 . 1 1 26 26 MET HB3 H 1 1.91 0.02 . 2 . . . . 26 MET HB2 . 15655 1 309 . 1 1 26 26 MET HE1 H 1 1.80 0.02 . 1 . . . . 26 MET HE1 . 15655 1 310 . 1 1 26 26 MET HE2 H 1 1.80 0.02 . 1 . . . . 26 MET HE1 . 15655 1 311 . 1 1 26 26 MET HE3 H 1 1.80 0.02 . 1 . . . . 26 MET HE1 . 15655 1 312 . 1 1 26 26 MET HG2 H 1 2.47 0.02 . 2 . . . . 26 MET HG1 . 15655 1 313 . 1 1 26 26 MET HG3 H 1 2.42 0.02 . 2 . . . . 26 MET HG2 . 15655 1 314 . 1 1 26 26 MET C C 13 176.06 0.15 . 1 . . . . 26 MET C . 15655 1 315 . 1 1 26 26 MET CA C 13 54.31 0.15 . 1 . . . . 26 MET CA . 15655 1 316 . 1 1 26 26 MET CB C 13 36.61 0.15 . 1 . . . . 26 MET CB . 15655 1 317 . 1 1 26 26 MET CE C 13 17.62 0.15 . 1 . . . . 26 MET CE . 15655 1 318 . 1 1 26 26 MET CG C 13 32.14 0.15 . 1 . . . . 26 MET CG . 15655 1 319 . 1 1 26 26 MET N N 15 116.53 0.15 . 1 . . . . 26 MET N . 15655 1 320 . 1 1 27 27 GLY H H 1 8.91 0.02 . 1 . . . . 27 GLY HN . 15655 1 321 . 1 1 27 27 GLY HA2 H 1 4.55 0.02 . 2 . . . . 27 GLY HA1 . 15655 1 322 . 1 1 27 27 GLY HA3 H 1 4.01 0.02 . 2 . . . . 27 GLY HA2 . 15655 1 323 . 1 1 27 27 GLY C C 13 170.52 0.15 . 1 . . . . 27 GLY C . 15655 1 324 . 1 1 27 27 GLY CA C 13 45.06 0.15 . 1 . . . . 27 GLY CA . 15655 1 325 . 1 1 27 27 GLY N N 15 108.67 0.15 . 1 . . . . 27 GLY N . 15655 1 326 . 1 1 28 28 MET H H 1 8.76 0.02 . 1 . . . . 28 MET HN . 15655 1 327 . 1 1 28 28 MET HA H 1 5.56 0.02 . 1 . . . . 28 MET HA . 15655 1 328 . 1 1 28 28 MET HB2 H 1 1.94 0.02 . 2 . . . . 28 MET HB1 . 15655 1 329 . 1 1 28 28 MET HB3 H 1 1.75 0.02 . 2 . . . . 28 MET HB2 . 15655 1 330 . 1 1 28 28 MET HE1 H 1 1.92 0.02 . 1 . . . . 28 MET HE1 . 15655 1 331 . 1 1 28 28 MET HE2 H 1 1.92 0.02 . 1 . . . . 28 MET HE1 . 15655 1 332 . 1 1 28 28 MET HE3 H 1 1.92 0.02 . 1 . . . . 28 MET HE1 . 15655 1 333 . 1 1 28 28 MET HG2 H 1 2.37 0.02 . 2 . . . . 28 MET HG1 . 15655 1 334 . 1 1 28 28 MET HG3 H 1 2.34 0.02 . 2 . . . . 28 MET HG2 . 15655 1 335 . 1 1 28 28 MET C C 13 174.82 0.15 . 1 . . . . 28 MET C . 15655 1 336 . 1 1 28 28 MET CA C 13 54.23 0.15 . 1 . . . . 28 MET CA . 15655 1 337 . 1 1 28 28 MET CB C 13 36.80 0.15 . 1 . . . . 28 MET CB . 15655 1 338 . 1 1 28 28 MET CE C 13 18.35 0.15 . 1 . . . . 28 MET CE . 15655 1 339 . 1 1 28 28 MET CG C 13 33.12 0.15 . 1 . . . . 28 MET CG . 15655 1 340 . 1 1 28 28 MET N N 15 121.39 0.15 . 1 . . . . 28 MET N . 15655 1 341 . 1 1 29 29 GLU H H 1 8.90 0.02 . 1 . . . . 29 GLU HN . 15655 1 342 . 1 1 29 29 GLU HA H 1 5.21 0.02 . 1 . . . . 29 GLU HA . 15655 1 343 . 1 1 29 29 GLU HB2 H 1 1.85 0.02 . 2 . . . . 29 GLU HB1 . 15655 1 344 . 1 1 29 29 GLU HB3 H 1 1.80 0.02 . 2 . . . . 29 GLU HB2 . 15655 1 345 . 1 1 29 29 GLU HG2 H 1 2.16 0.02 . 2 . . . . 29 GLU HG1 . 15655 1 346 . 1 1 29 29 GLU HG3 H 1 2.16 0.02 . 2 . . . . 29 GLU HG2 . 15655 1 347 . 1 1 29 29 GLU C C 13 175.41 0.15 . 1 . . . . 29 GLU C . 15655 1 348 . 1 1 29 29 GLU CA C 13 53.80 0.15 . 1 . . . . 29 GLU CA . 15655 1 349 . 1 1 29 29 GLU CB C 13 34.13 0.15 . 1 . . . . 29 GLU CB . 15655 1 350 . 1 1 29 29 GLU CG C 13 36.21 0.15 . 1 . . . . 29 GLU CG . 15655 1 351 . 1 1 29 29 GLU N N 15 123.94 0.15 . 1 . . . . 29 GLU N . 15655 1 352 . 1 1 30 30 ASN H H 1 8.71 0.02 . 1 . . . . 30 ASN HN . 15655 1 353 . 1 1 30 30 ASN HA H 1 4.81 0.02 . 1 . . . . 30 ASN HA . 15655 1 354 . 1 1 30 30 ASN HB2 H 1 3.49 0.02 . 2 . . . . 30 ASN HB1 . 15655 1 355 . 1 1 30 30 ASN HB3 H 1 3.19 0.02 . 2 . . . . 30 ASN HB2 . 15655 1 356 . 1 1 30 30 ASN HD21 H 1 7.91 0.02 . 2 . . . . 30 ASN HD21 . 15655 1 357 . 1 1 30 30 ASN HD22 H 1 7.36 0.02 . 2 . . . . 30 ASN HD22 . 15655 1 358 . 1 1 30 30 ASN C C 13 177.42 0.15 . 1 . . . . 30 ASN C . 15655 1 359 . 1 1 30 30 ASN CA C 13 51.29 0.15 . 1 . . . . 30 ASN CA . 15655 1 360 . 1 1 30 30 ASN CB C 13 38.80 0.15 . 1 . . . . 30 ASN CB . 15655 1 361 . 1 1 30 30 ASN N N 15 119.31 0.15 . 1 . . . . 30 ASN N . 15655 1 362 . 1 1 30 30 ASN ND2 N 15 112.60 0.15 . 1 . . . . 30 ASN ND2 . 15655 1 363 . 1 1 31 31 LYS H H 1 8.36 0.02 . 1 . . . . 31 LYS HN . 15655 1 364 . 1 1 31 31 LYS HA H 1 3.89 0.02 . 1 . . . . 31 LYS HA . 15655 1 365 . 1 1 31 31 LYS HB2 H 1 1.65 0.02 . 2 . . . . 31 LYS HB1 . 15655 1 366 . 1 1 31 31 LYS HB3 H 1 1.24 0.02 . 2 . . . . 31 LYS HB2 . 15655 1 367 . 1 1 31 31 LYS HD2 H 1 1.36 0.02 . 2 . . . . 31 LYS HD1 . 15655 1 368 . 1 1 31 31 LYS HD3 H 1 1.37 0.02 . 2 . . . . 31 LYS HD2 . 15655 1 369 . 1 1 31 31 LYS HE2 H 1 2.67 0.02 . 2 . . . . 31 LYS HE1 . 15655 1 370 . 1 1 31 31 LYS HE3 H 1 2.67 0.02 . 2 . . . . 31 LYS HE2 . 15655 1 371 . 1 1 31 31 LYS HG2 H 1 0.75 0.02 . 2 . . . . 31 LYS HG1 . 15655 1 372 . 1 1 31 31 LYS HG3 H 1 0.05 0.02 . 2 . . . . 31 LYS HG2 . 15655 1 373 . 1 1 31 31 LYS C C 13 175.81 0.15 . 1 . . . . 31 LYS C . 15655 1 374 . 1 1 31 31 LYS CA C 13 58.34 0.15 . 1 . . . . 31 LYS CA . 15655 1 375 . 1 1 31 31 LYS CB C 13 31.66 0.15 . 1 . . . . 31 LYS CB . 15655 1 376 . 1 1 31 31 LYS CD C 13 29.39 0.15 . 1 . . . . 31 LYS CD . 15655 1 377 . 1 1 31 31 LYS CE C 13 41.96 0.15 . 1 . . . . 31 LYS CE . 15655 1 378 . 1 1 31 31 LYS CG C 13 22.73 0.15 . 1 . . . . 31 LYS CG . 15655 1 379 . 1 1 31 31 LYS N N 15 117.00 0.15 . 1 . . . . 31 LYS N . 15655 1 380 . 1 1 32 32 PHE H H 1 7.36 0.02 . 1 . . . . 32 PHE HN . 15655 1 381 . 1 1 32 32 PHE HA H 1 4.73 0.02 . 1 . . . . 32 PHE HA . 15655 1 382 . 1 1 32 32 PHE HB2 H 1 3.51 0.02 . 2 . . . . 32 PHE HB1 . 15655 1 383 . 1 1 32 32 PHE HB3 H 1 2.78 0.02 . 2 . . . . 32 PHE HB2 . 15655 1 384 . 1 1 32 32 PHE HD1 H 1 7.16 0.02 . 3 . . . . 32 PHE HD1 . 15655 1 385 . 1 1 32 32 PHE HD2 H 1 7.16 0.02 . 3 . . . . 32 PHE HD2 . 15655 1 386 . 1 1 32 32 PHE HE1 H 1 7.30 0.02 . 3 . . . . 32 PHE HE1 . 15655 1 387 . 1 1 32 32 PHE HE2 H 1 7.30 0.02 . 3 . . . . 32 PHE HE2 . 15655 1 388 . 1 1 32 32 PHE HZ H 1 7.24 0.02 . 1 . . . . 32 PHE HZ . 15655 1 389 . 1 1 32 32 PHE C C 13 176.12 0.15 . 1 . . . . 32 PHE C . 15655 1 390 . 1 1 32 32 PHE CA C 13 56.73 0.15 . 1 . . . . 32 PHE CA . 15655 1 391 . 1 1 32 32 PHE CB C 13 39.05 0.15 . 1 . . . . 32 PHE CB . 15655 1 392 . 1 1 32 32 PHE N N 15 117.69 0.15 . 1 . . . . 32 PHE N . 15655 1 393 . 1 1 33 33 GLY H H 1 8.16 0.02 . 1 . . . . 33 GLY HN . 15655 1 394 . 1 1 33 33 GLY HA2 H 1 4.18 0.02 . 2 . . . . 33 GLY HA1 . 15655 1 395 . 1 1 33 33 GLY HA3 H 1 3.92 0.02 . 2 . . . . 33 GLY HA2 . 15655 1 396 . 1 1 33 33 GLY C C 13 173.99 0.15 . 1 . . . . 33 GLY C . 15655 1 397 . 1 1 33 33 GLY CA C 13 45.49 0.15 . 1 . . . . 33 GLY CA . 15655 1 398 . 1 1 33 33 GLY N N 15 108.21 0.15 . 1 . . . . 33 GLY N . 15655 1 399 . 1 1 34 34 LYS H H 1 7.73 0.02 . 1 . . . . 34 LYS HN . 15655 1 400 . 1 1 34 34 LYS HA H 1 4.48 0.02 . 1 . . . . 34 LYS HA . 15655 1 401 . 1 1 34 34 LYS HB2 H 1 1.80 0.02 . 2 . . . . 34 LYS HB1 . 15655 1 402 . 1 1 34 34 LYS HB3 H 1 1.71 0.02 . 2 . . . . 34 LYS HB2 . 15655 1 403 . 1 1 34 34 LYS HD2 H 1 1.62 0.02 . 2 . . . . 34 LYS HD1 . 15655 1 404 . 1 1 34 34 LYS HD3 H 1 1.62 0.02 . 2 . . . . 34 LYS HD2 . 15655 1 405 . 1 1 34 34 LYS HE2 H 1 2.95 0.02 . 2 . . . . 34 LYS HE1 . 15655 1 406 . 1 1 34 34 LYS HE3 H 1 2.95 0.02 . 2 . . . . 34 LYS HE2 . 15655 1 407 . 1 1 34 34 LYS HG2 H 1 1.49 0.02 . 2 . . . . 34 LYS HG1 . 15655 1 408 . 1 1 34 34 LYS HG3 H 1 1.38 0.02 . 2 . . . . 34 LYS HG2 . 15655 1 409 . 1 1 34 34 LYS C C 13 176.42 0.15 . 1 . . . . 34 LYS C . 15655 1 410 . 1 1 34 34 LYS CA C 13 54.44 0.15 . 1 . . . . 34 LYS CA . 15655 1 411 . 1 1 34 34 LYS CB C 13 32.91 0.15 . 1 . . . . 34 LYS CB . 15655 1 412 . 1 1 34 34 LYS CD C 13 28.57 0.15 . 1 . . . . 34 LYS CD . 15655 1 413 . 1 1 34 34 LYS CE C 13 42.33 0.15 . 1 . . . . 34 LYS CE . 15655 1 414 . 1 1 34 34 LYS CG C 13 24.67 0.15 . 1 . . . . 34 LYS CG . 15655 1 415 . 1 1 34 34 LYS N N 15 120.47 0.15 . 1 . . . . 34 LYS N . 15655 1 416 . 1 1 35 35 SER H H 1 8.61 0.02 . 1 . . . . 35 SER HN . 15655 1 417 . 1 1 35 35 SER HA H 1 4.78 0.02 . 1 . . . . 35 SER HA . 15655 1 418 . 1 1 35 35 SER HB2 H 1 3.89 0.02 . 2 . . . . 35 SER HB1 . 15655 1 419 . 1 1 35 35 SER HB3 H 1 3.89 0.02 . 2 . . . . 35 SER HB2 . 15655 1 420 . 1 1 35 35 SER C C 13 173.85 0.15 . 1 . . . . 35 SER C . 15655 1 421 . 1 1 35 35 SER CA C 13 59.41 0.15 . 1 . . . . 35 SER CA . 15655 1 422 . 1 1 35 35 SER CB C 13 63.95 0.15 . 1 . . . . 35 SER CB . 15655 1 423 . 1 1 35 35 SER N N 15 119.54 0.15 . 1 . . . . 35 SER N . 15655 1 424 . 1 1 36 36 MET H H 1 8.34 0.02 . 1 . . . . 36 MET HN . 15655 1 425 . 1 1 36 36 MET HA H 1 4.71 0.02 . 1 . . . . 36 MET HA . 15655 1 426 . 1 1 36 36 MET HB2 H 1 1.83 0.02 . 2 . . . . 36 MET HB1 . 15655 1 427 . 1 1 36 36 MET HB3 H 1 2.02 0.02 . 2 . . . . 36 MET HB2 . 15655 1 428 . 1 1 36 36 MET HE1 H 1 2.05 0.02 . 1 . . . . 36 MET HE1 . 15655 1 429 . 1 1 36 36 MET HE2 H 1 2.05 0.02 . 1 . . . . 36 MET HE1 . 15655 1 430 . 1 1 36 36 MET HE3 H 1 2.05 0.02 . 1 . . . . 36 MET HE1 . 15655 1 431 . 1 1 36 36 MET HG2 H 1 2.29 0.02 . 2 . . . . 36 MET HG1 . 15655 1 432 . 1 1 36 36 MET HG3 H 1 2.29 0.02 . 2 . . . . 36 MET HG2 . 15655 1 433 . 1 1 36 36 MET C C 13 174.27 0.15 . 1 . . . . 36 MET C . 15655 1 434 . 1 1 36 36 MET CA C 13 54.12 0.15 . 1 . . . . 36 MET CA . 15655 1 435 . 1 1 36 36 MET CB C 13 36.66 0.15 . 1 . . . . 36 MET CB . 15655 1 436 . 1 1 36 36 MET CE C 13 16.90 0.15 . 1 . . . . 36 MET CE . 15655 1 437 . 1 1 36 36 MET CG C 13 30.72 0.15 . 1 . . . . 36 MET CG . 15655 1 438 . 1 1 36 36 MET N N 15 121.16 0.15 . 1 . . . . 36 MET N . 15655 1 439 . 1 1 37 37 ASN H H 1 8.55 0.02 . 1 . . . . 37 ASN HN . 15655 1 440 . 1 1 37 37 ASN HA H 1 4.66 0.02 . 1 . . . . 37 ASN HA . 15655 1 441 . 1 1 37 37 ASN HB2 H 1 2.63 0.02 . 2 . . . . 37 ASN HB1 . 15655 1 442 . 1 1 37 37 ASN HB3 H 1 2.56 0.02 . 2 . . . . 37 ASN HB2 . 15655 1 443 . 1 1 37 37 ASN HD21 H 1 7.56 0.02 . 2 . . . . 37 ASN HD21 . 15655 1 444 . 1 1 37 37 ASN HD22 H 1 6.94 0.02 . 2 . . . . 37 ASN HD22 . 15655 1 445 . 1 1 37 37 ASN C C 13 174.64 0.15 . 1 . . . . 37 ASN C . 15655 1 446 . 1 1 37 37 ASN CA C 13 52.92 0.15 . 1 . . . . 37 ASN CA . 15655 1 447 . 1 1 37 37 ASN CB C 13 38.67 0.15 . 1 . . . . 37 ASN CB . 15655 1 448 . 1 1 37 37 ASN N N 15 119.31 0.15 . 1 . . . . 37 ASN N . 15655 1 449 . 1 1 37 37 ASN ND2 N 15 113.19 0.15 . 1 . . . . 37 ASN ND2 . 15655 1 450 . 1 1 38 38 MET H H 1 8.72 0.02 . 1 . . . . 38 MET HN . 15655 1 451 . 1 1 38 38 MET HA H 1 4.63 0.02 . 1 . . . . 38 MET HA . 15655 1 452 . 1 1 38 38 MET HB2 H 1 1.92 0.02 . 2 . . . . 38 MET HB1 . 15655 1 453 . 1 1 38 38 MET HB3 H 1 1.70 0.02 . 2 . . . . 38 MET HB2 . 15655 1 454 . 1 1 38 38 MET HE1 H 1 1.87 0.02 . 1 . . . . 38 MET HE1 . 15655 1 455 . 1 1 38 38 MET HE2 H 1 1.87 0.02 . 1 . . . . 38 MET HE1 . 15655 1 456 . 1 1 38 38 MET HE3 H 1 1.87 0.02 . 1 . . . . 38 MET HE1 . 15655 1 457 . 1 1 38 38 MET HG2 H 1 2.50 0.02 . 2 . . . . 38 MET HG1 . 15655 1 458 . 1 1 38 38 MET HG3 H 1 2.40 0.02 . 2 . . . . 38 MET HG2 . 15655 1 459 . 1 1 38 38 MET CA C 13 53.47 0.15 . 1 . . . . 38 MET CA . 15655 1 460 . 1 1 38 38 MET CB C 13 33.35 0.15 . 1 . . . . 38 MET CB . 15655 1 461 . 1 1 38 38 MET CE C 13 17.56 0.15 . 1 . . . . 38 MET CE . 15655 1 462 . 1 1 38 38 MET CG C 13 32.26 0.15 . 1 . . . . 38 MET CG . 15655 1 463 . 1 1 38 38 MET N N 15 124.86 0.15 . 1 . . . . 38 MET N . 15655 1 464 . 1 1 39 39 PRO HA H 1 4.41 0.02 . 1 . . . . 39 PRO HA . 15655 1 465 . 1 1 39 39 PRO HB2 H 1 2.12 0.02 . 2 . . . . 39 PRO HB1 . 15655 1 466 . 1 1 39 39 PRO HB3 H 1 1.68 0.02 . 2 . . . . 39 PRO HB2 . 15655 1 467 . 1 1 39 39 PRO HD2 H 1 3.99 0.02 . 2 . . . . 39 PRO HD1 . 15655 1 468 . 1 1 39 39 PRO HD3 H 1 3.64 0.02 . 2 . . . . 39 PRO HD2 . 15655 1 469 . 1 1 39 39 PRO HG2 H 1 2.00 0.02 . 2 . . . . 39 PRO HG1 . 15655 1 470 . 1 1 39 39 PRO HG3 H 1 1.93 0.02 . 2 . . . . 39 PRO HG2 . 15655 1 471 . 1 1 39 39 PRO C C 13 175.88 0.15 . 1 . . . . 39 PRO C . 15655 1 472 . 1 1 39 39 PRO CA C 13 62.13 0.15 . 1 . . . . 39 PRO CA . 15655 1 473 . 1 1 39 39 PRO CB C 13 32.05 0.15 . 1 . . . . 39 PRO CB . 15655 1 474 . 1 1 39 39 PRO CD C 13 51.18 0.15 . 1 . . . . 39 PRO CD . 15655 1 475 . 1 1 39 39 PRO CG C 13 27.36 0.15 . 1 . . . . 39 PRO CG . 15655 1 476 . 1 1 40 40 GLU H H 1 8.52 0.02 . 1 . . . . 40 GLU HN . 15655 1 477 . 1 1 40 40 GLU HA H 1 4.36 0.02 . 1 . . . . 40 GLU HA . 15655 1 478 . 1 1 40 40 GLU HB2 H 1 1.97 0.02 . 2 . . . . 40 GLU HB1 . 15655 1 479 . 1 1 40 40 GLU HB3 H 1 1.84 0.02 . 2 . . . . 40 GLU HB2 . 15655 1 480 . 1 1 40 40 GLU HG2 H 1 2.48 0.02 . 2 . . . . 40 GLU HG1 . 15655 1 481 . 1 1 40 40 GLU HG3 H 1 2.20 0.02 . 2 . . . . 40 GLU HG2 . 15655 1 482 . 1 1 40 40 GLU C C 13 177.66 0.15 . 1 . . . . 40 GLU C . 15655 1 483 . 1 1 40 40 GLU CA C 13 55.86 0.15 . 1 . . . . 40 GLU CA . 15655 1 484 . 1 1 40 40 GLU CB C 13 31.17 0.15 . 1 . . . . 40 GLU CB . 15655 1 485 . 1 1 40 40 GLU CG C 13 37.01 0.15 . 1 . . . . 40 GLU CG . 15655 1 486 . 1 1 40 40 GLU N N 15 124.86 0.15 . 1 . . . . 40 GLU N . 15655 1 487 . 1 1 41 41 GLY H H 1 9.28 0.02 . 1 . . . . 41 GLY HN . 15655 1 488 . 1 1 41 41 GLY HA2 H 1 3.95 0.02 . 2 . . . . 41 GLY HA1 . 15655 1 489 . 1 1 41 41 GLY HA3 H 1 3.16 0.02 . 2 . . . . 41 GLY HA2 . 15655 1 490 . 1 1 41 41 GLY C C 13 172.08 0.15 . 1 . . . . 41 GLY C . 15655 1 491 . 1 1 41 41 GLY CA C 13 46.43 0.15 . 1 . . . . 41 GLY CA . 15655 1 492 . 1 1 41 41 GLY N N 15 112.37 0.15 . 1 . . . . 41 GLY N . 15655 1 493 . 1 1 42 42 LYS H H 1 7.94 0.02 . 1 . . . . 42 LYS HN . 15655 1 494 . 1 1 42 42 LYS HA H 1 4.44 0.02 . 1 . . . . 42 LYS HA . 15655 1 495 . 1 1 42 42 LYS HB2 H 1 1.45 0.02 . 2 . . . . 42 LYS HB1 . 15655 1 496 . 1 1 42 42 LYS HB3 H 1 1.48 0.02 . 2 . . . . 42 LYS HB2 . 15655 1 497 . 1 1 42 42 LYS HD2 H 1 1.55 0.02 . 2 . . . . 42 LYS HD1 . 15655 1 498 . 1 1 42 42 LYS HD3 H 1 1.55 0.02 . 2 . . . . 42 LYS HD2 . 15655 1 499 . 1 1 42 42 LYS HE2 H 1 2.91 0.02 . 2 . . . . 42 LYS HE1 . 15655 1 500 . 1 1 42 42 LYS HE3 H 1 2.91 0.02 . 2 . . . . 42 LYS HE2 . 15655 1 501 . 1 1 42 42 LYS HG2 H 1 1.27 0.02 . 2 . . . . 42 LYS HG1 . 15655 1 502 . 1 1 42 42 LYS HG3 H 1 1.14 0.02 . 2 . . . . 42 LYS HG2 . 15655 1 503 . 1 1 42 42 LYS C C 13 174.93 0.15 . 1 . . . . 42 LYS C . 15655 1 504 . 1 1 42 42 LYS CA C 13 54.12 0.15 . 1 . . . . 42 LYS CA . 15655 1 505 . 1 1 42 42 LYS CB C 13 35.51 0.15 . 1 . . . . 42 LYS CB . 15655 1 506 . 1 1 42 42 LYS CD C 13 29.23 0.15 . 1 . . . . 42 LYS CD . 15655 1 507 . 1 1 42 42 LYS CE C 13 42.24 0.15 . 1 . . . . 42 LYS CE . 15655 1 508 . 1 1 42 42 LYS CG C 13 24.72 0.15 . 1 . . . . 42 LYS CG . 15655 1 509 . 1 1 42 42 LYS N N 15 120.24 0.15 . 1 . . . . 42 LYS N . 15655 1 510 . 1 1 43 43 VAL H H 1 8.62 0.02 . 1 . . . . 43 VAL HN . 15655 1 511 . 1 1 43 43 VAL HA H 1 3.90 0.02 . 1 . . . . 43 VAL HA . 15655 1 512 . 1 1 43 43 VAL HB H 1 1.83 0.02 . 1 . . . . 43 VAL HB . 15655 1 513 . 1 1 43 43 VAL HG11 H 1 0.71 0.02 . 4 . . . . 43 VAL HG11 . 15655 1 514 . 1 1 43 43 VAL HG12 H 1 0.71 0.02 . 4 . . . . 43 VAL HG11 . 15655 1 515 . 1 1 43 43 VAL HG13 H 1 0.71 0.02 . 4 . . . . 43 VAL HG11 . 15655 1 516 . 1 1 43 43 VAL HG21 H 1 0.93 0.02 . 4 . . . . 43 VAL HG21 . 15655 1 517 . 1 1 43 43 VAL HG22 H 1 0.93 0.02 . 4 . . . . 43 VAL HG21 . 15655 1 518 . 1 1 43 43 VAL HG23 H 1 0.93 0.02 . 4 . . . . 43 VAL HG21 . 15655 1 519 . 1 1 43 43 VAL C C 13 176.06 0.15 . 1 . . . . 43 VAL C . 15655 1 520 . 1 1 43 43 VAL CA C 13 63.70 0.15 . 1 . . . . 43 VAL CA . 15655 1 521 . 1 1 43 43 VAL CB C 13 31.72 0.15 . 1 . . . . 43 VAL CB . 15655 1 522 . 1 1 43 43 VAL CG1 C 13 22.84 0.15 . 2 . . . . 43 VAL CG1 . 15655 1 523 . 1 1 43 43 VAL CG2 C 13 22.67 0.15 . 2 . . . . 43 VAL CG2 . 15655 1 524 . 1 1 43 43 VAL N N 15 127.41 0.15 . 1 . . . . 43 VAL N . 15655 1 525 . 1 1 44 44 MET H H 1 9.30 0.02 . 1 . . . . 44 MET HN . 15655 1 526 . 1 1 44 44 MET HA H 1 4.67 0.02 . 1 . . . . 44 MET HA . 15655 1 527 . 1 1 44 44 MET HB2 H 1 1.83 0.02 . 2 . . . . 44 MET HB1 . 15655 1 528 . 1 1 44 44 MET HB3 H 1 1.64 0.02 . 2 . . . . 44 MET HB2 . 15655 1 529 . 1 1 44 44 MET HE1 H 1 1.88 0.02 . 1 . . . . 44 MET HE1 . 15655 1 530 . 1 1 44 44 MET HE2 H 1 1.88 0.02 . 1 . . . . 44 MET HE1 . 15655 1 531 . 1 1 44 44 MET HE3 H 1 1.88 0.02 . 1 . . . . 44 MET HE1 . 15655 1 532 . 1 1 44 44 MET HG2 H 1 2.37 0.02 . 2 . . . . 44 MET HG1 . 15655 1 533 . 1 1 44 44 MET HG3 H 1 2.37 0.02 . 2 . . . . 44 MET HG2 . 15655 1 534 . 1 1 44 44 MET C C 13 174.41 0.15 . 1 . . . . 44 MET C . 15655 1 535 . 1 1 44 44 MET CA C 13 54.24 0.15 . 1 . . . . 44 MET CA . 15655 1 536 . 1 1 44 44 MET CB C 13 36.06 0.15 . 1 . . . . 44 MET CB . 15655 1 537 . 1 1 44 44 MET CE C 13 18.41 0.15 . 1 . . . . 44 MET CE . 15655 1 538 . 1 1 44 44 MET CG C 13 32.03 0.15 . 1 . . . . 44 MET CG . 15655 1 539 . 1 1 44 44 MET N N 15 127.87 0.15 . 1 . . . . 44 MET N . 15655 1 540 . 1 1 45 45 GLU H H 1 8.68 0.02 . 1 . . . . 45 GLU HN . 15655 1 541 . 1 1 45 45 GLU HA H 1 4.86 0.02 . 1 . . . . 45 GLU HA . 15655 1 542 . 1 1 45 45 GLU HB2 H 1 2.01 0.02 . 2 . . . . 45 GLU HB1 . 15655 1 543 . 1 1 45 45 GLU HB3 H 1 1.87 0.02 . 2 . . . . 45 GLU HB2 . 15655 1 544 . 1 1 45 45 GLU HG2 H 1 2.30 0.02 . 2 . . . . 45 GLU HG1 . 15655 1 545 . 1 1 45 45 GLU HG3 H 1 2.18 0.02 . 2 . . . . 45 GLU HG2 . 15655 1 546 . 1 1 45 45 GLU C C 13 177.24 0.15 . 1 . . . . 45 GLU C . 15655 1 547 . 1 1 45 45 GLU CA C 13 55.97 0.15 . 1 . . . . 45 GLU CA . 15655 1 548 . 1 1 45 45 GLU CB C 13 31.17 0.15 . 1 . . . . 45 GLU CB . 15655 1 549 . 1 1 45 45 GLU CG C 13 36.69 0.15 . 1 . . . . 45 GLU CG . 15655 1 550 . 1 1 45 45 GLU N N 15 122.09 0.15 . 1 . . . . 45 GLU N . 15655 1 551 . 1 1 46 46 THR H H 1 8.96 0.02 . 1 . . . . 46 THR HN . 15655 1 552 . 1 1 46 46 THR HA H 1 4.90 0.02 . 1 . . . . 46 THR HA . 15655 1 553 . 1 1 46 46 THR HB H 1 4.79 0.02 . 1 . . . . 46 THR HB . 15655 1 554 . 1 1 46 46 THR HG21 H 1 1.08 0.02 . 1 . . . . 46 THR HG21 . 15655 1 555 . 1 1 46 46 THR HG22 H 1 1.08 0.02 . 1 . . . . 46 THR HG21 . 15655 1 556 . 1 1 46 46 THR HG23 H 1 1.08 0.02 . 1 . . . . 46 THR HG21 . 15655 1 557 . 1 1 46 46 THR C C 13 176.59 0.15 . 1 . . . . 46 THR C . 15655 1 558 . 1 1 46 46 THR CA C 13 61.08 0.15 . 1 . . . . 46 THR CA . 15655 1 559 . 1 1 46 46 THR CB C 13 70.57 0.15 . 1 . . . . 46 THR CB . 15655 1 560 . 1 1 46 46 THR CG2 C 13 21.98 0.15 . 1 . . . . 46 THR CG2 . 15655 1 561 . 1 1 46 46 THR N N 15 115.61 0.15 . 1 . . . . 46 THR N . 15655 1 562 . 1 1 47 47 ARG H H 1 8.92 0.02 . 1 . . . . 47 ARG HN . 15655 1 563 . 1 1 47 47 ARG HA H 1 4.05 0.02 . 1 . . . . 47 ARG HA . 15655 1 564 . 1 1 47 47 ARG HB2 H 1 1.62 0.02 . 2 . . . . 47 ARG HB1 . 15655 1 565 . 1 1 47 47 ARG HB3 H 1 1.77 0.02 . 2 . . . . 47 ARG HB2 . 15655 1 566 . 1 1 47 47 ARG HD2 H 1 3.13 0.02 . 2 . . . . 47 ARG HD1 . 15655 1 567 . 1 1 47 47 ARG HD3 H 1 3.13 0.02 . 2 . . . . 47 ARG HD2 . 15655 1 568 . 1 1 47 47 ARG HG2 H 1 1.54 0.02 . 2 . . . . 47 ARG HG1 . 15655 1 569 . 1 1 47 47 ARG HG3 H 1 1.54 0.02 . 2 . . . . 47 ARG HG2 . 15655 1 570 . 1 1 47 47 ARG C C 13 176.52 0.15 . 1 . . . . 47 ARG C . 15655 1 571 . 1 1 47 47 ARG CA C 13 58.62 0.15 . 1 . . . . 47 ARG CA . 15655 1 572 . 1 1 47 47 ARG CB C 13 30.09 0.15 . 1 . . . . 47 ARG CB . 15655 1 573 . 1 1 47 47 ARG CD C 13 43.26 0.15 . 1 . . . . 47 ARG CD . 15655 1 574 . 1 1 47 47 ARG CG C 13 27.21 0.15 . 1 . . . . 47 ARG CG . 15655 1 575 . 1 1 47 47 ARG N N 15 121.39 0.15 . 1 . . . . 47 ARG N . 15655 1 576 . 1 1 48 48 ASP H H 1 8.24 0.02 . 1 . . . . 48 ASP HN . 15655 1 577 . 1 1 48 48 ASP HA H 1 4.60 0.02 . 1 . . . . 48 ASP HA . 15655 1 578 . 1 1 48 48 ASP HB2 H 1 2.95 0.02 . 2 . . . . 48 ASP HB1 . 15655 1 579 . 1 1 48 48 ASP HB3 H 1 2.57 0.02 . 2 . . . . 48 ASP HB2 . 15655 1 580 . 1 1 48 48 ASP C C 13 176.47 0.15 . 1 . . . . 48 ASP C . 15655 1 581 . 1 1 48 48 ASP CA C 13 53.15 0.15 . 1 . . . . 48 ASP CA . 15655 1 582 . 1 1 48 48 ASP CB C 13 39.90 0.15 . 1 . . . . 48 ASP CB . 15655 1 583 . 1 1 48 48 ASP N N 15 114.22 0.15 . 1 . . . . 48 ASP N . 15655 1 584 . 1 1 49 49 GLY H H 1 7.61 0.02 . 1 . . . . 49 GLY HN . 15655 1 585 . 1 1 49 49 GLY HA2 H 1 4.16 0.02 . 2 . . . . 49 GLY HA1 . 15655 1 586 . 1 1 49 49 GLY HA3 H 1 3.82 0.02 . 2 . . . . 49 GLY HA2 . 15655 1 587 . 1 1 49 49 GLY C C 13 174.76 0.15 . 1 . . . . 49 GLY C . 15655 1 588 . 1 1 49 49 GLY CA C 13 46.22 0.15 . 1 . . . . 49 GLY CA . 15655 1 589 . 1 1 49 49 GLY N N 15 106.59 0.15 . 1 . . . . 49 GLY N . 15655 1 590 . 1 1 50 50 THR H H 1 7.69 0.02 . 1 . . . . 50 THR HN . 15655 1 591 . 1 1 50 50 THR HA H 1 4.68 0.02 . 1 . . . . 50 THR HA . 15655 1 592 . 1 1 50 50 THR HB H 1 4.07 0.02 . 1 . . . . 50 THR HB . 15655 1 593 . 1 1 50 50 THR HG1 H 1 5.86 0.02 . 1 . . . . 50 THR HG1 . 15655 1 594 . 1 1 50 50 THR HG21 H 1 1.16 0.02 . 1 . . . . 50 THR HG21 . 15655 1 595 . 1 1 50 50 THR HG22 H 1 1.16 0.02 . 1 . . . . 50 THR HG21 . 15655 1 596 . 1 1 50 50 THR HG23 H 1 1.16 0.02 . 1 . . . . 50 THR HG21 . 15655 1 597 . 1 1 50 50 THR C C 13 173.47 0.15 . 1 . . . . 50 THR C . 15655 1 598 . 1 1 50 50 THR CA C 13 59.99 0.15 . 1 . . . . 50 THR CA . 15655 1 599 . 1 1 50 50 THR CB C 13 69.68 0.15 . 1 . . . . 50 THR CB . 15655 1 600 . 1 1 50 50 THR CG2 C 13 20.73 0.15 . 1 . . . . 50 THR CG2 . 15655 1 601 . 1 1 50 50 THR N N 15 116.30 0.15 . 1 . . . . 50 THR N . 15655 1 602 . 1 1 51 51 LYS H H 1 8.46 0.02 . 1 . . . . 51 LYS HN . 15655 1 603 . 1 1 51 51 LYS HA H 1 5.43 0.02 . 1 . . . . 51 LYS HA . 15655 1 604 . 1 1 51 51 LYS HB2 H 1 1.81 0.02 . 2 . . . . 51 LYS HB1 . 15655 1 605 . 1 1 51 51 LYS HB3 H 1 1.66 0.02 . 2 . . . . 51 LYS HB2 . 15655 1 606 . 1 1 51 51 LYS HE2 H 1 2.84 0.02 . 2 . . . . 51 LYS HE1 . 15655 1 607 . 1 1 51 51 LYS HE3 H 1 2.84 0.02 . 2 . . . . 51 LYS HE2 . 15655 1 608 . 1 1 51 51 LYS HG2 H 1 1.41 0.02 . 2 . . . . 51 LYS HG1 . 15655 1 609 . 1 1 51 51 LYS HG3 H 1 1.28 0.02 . 2 . . . . 51 LYS HG2 . 15655 1 610 . 1 1 51 51 LYS C C 13 174.93 0.15 . 1 . . . . 51 LYS C . 15655 1 611 . 1 1 51 51 LYS CA C 13 55.24 0.15 . 1 . . . . 51 LYS CA . 15655 1 612 . 1 1 51 51 LYS CB C 13 37.68 0.15 . 1 . . . . 51 LYS CB . 15655 1 613 . 1 1 51 51 LYS CD C 13 30.07 0.15 . 1 . . . . 51 LYS CD . 15655 1 614 . 1 1 51 51 LYS CE C 13 42.00 0.15 . 1 . . . . 51 LYS CE . 15655 1 615 . 1 1 51 51 LYS CG C 13 25.92 0.15 . 1 . . . . 51 LYS CG . 15655 1 616 . 1 1 51 51 LYS N N 15 121.62 0.15 . 1 . . . . 51 LYS N . 15655 1 617 . 1 1 52 52 ILE H H 1 8.92 0.02 . 1 . . . . 52 ILE HN . 15655 1 618 . 1 1 52 52 ILE HA H 1 5.69 0.02 . 1 . . . . 52 ILE HA . 15655 1 619 . 1 1 52 52 ILE HB H 1 1.56 0.02 . 1 . . . . 52 ILE HB . 15655 1 620 . 1 1 52 52 ILE HD11 H 1 0.15 0.02 . 1 . . . . 52 ILE HD11 . 15655 1 621 . 1 1 52 52 ILE HD12 H 1 0.15 0.02 . 1 . . . . 52 ILE HD11 . 15655 1 622 . 1 1 52 52 ILE HD13 H 1 0.15 0.02 . 1 . . . . 52 ILE HD11 . 15655 1 623 . 1 1 52 52 ILE HG12 H 1 1.10 0.02 . 9 . . . . 52 ILE HG11 . 15655 1 624 . 1 1 52 52 ILE HG13 H 1 0.66 0.02 . 9 . . . . 52 ILE HG12 . 15655 1 625 . 1 1 52 52 ILE HG21 H 1 0.47 0.02 . 4 . . . . 52 ILE HG21 . 15655 1 626 . 1 1 52 52 ILE HG22 H 1 0.47 0.02 . 4 . . . . 52 ILE HG22 . 15655 1 627 . 1 1 52 52 ILE HG23 H 1 0.47 0.02 . 4 . . . . 52 ILE HG23 . 15655 1 628 . 1 1 52 52 ILE C C 13 173.41 0.15 . 1 . . . . 52 ILE C . 15655 1 629 . 1 1 52 52 ILE CA C 13 58.80 0.15 . 1 . . . . 52 ILE CA . 15655 1 630 . 1 1 52 52 ILE CB C 13 43.33 0.15 . 1 . . . . 52 ILE CB . 15655 1 631 . 1 1 52 52 ILE CD1 C 13 13.22 0.15 . 1 . . . . 52 ILE CD1 . 15655 1 632 . 1 1 52 52 ILE CG1 C 13 25.30 0.15 . 2 . . . . 52 ILE CG1 . 15655 1 633 . 1 1 52 52 ILE CG2 C 13 17.16 0.15 . 2 . . . . 52 ILE CG2 . 15655 1 634 . 1 1 52 52 ILE N N 15 114.45 0.15 . 1 . . . . 52 ILE N . 15655 1 635 . 1 1 53 53 ILE H H 1 8.60 0.02 . 1 . . . . 53 ILE HN . 15655 1 636 . 1 1 53 53 ILE HA H 1 4.11 0.02 . 1 . . . . 53 ILE HA . 15655 1 637 . 1 1 53 53 ILE HB H 1 0.80 0.02 . 1 . . . . 53 ILE HB . 15655 1 638 . 1 1 53 53 ILE HD11 H 1 -0.10 0.02 . 1 . . . . 53 ILE HD11 . 15655 1 639 . 1 1 53 53 ILE HD12 H 1 -0.10 0.02 . 1 . . . . 53 ILE HD11 . 15655 1 640 . 1 1 53 53 ILE HD13 H 1 -0.10 0.02 . 1 . . . . 53 ILE HD11 . 15655 1 641 . 1 1 53 53 ILE HG12 H 1 0.90 0.02 . 9 . . . . 53 ILE HG11 . 15655 1 642 . 1 1 53 53 ILE HG13 H 1 0.35 0.02 . 9 . . . . 53 ILE HG12 . 15655 1 643 . 1 1 53 53 ILE HG21 H 1 -0.12 0.02 . 4 . . . . 53 ILE HG21 . 15655 1 644 . 1 1 53 53 ILE HG22 H 1 -0.12 0.02 . 4 . . . . 53 ILE HG21 . 15655 1 645 . 1 1 53 53 ILE HG23 H 1 -0.12 0.02 . 4 . . . . 53 ILE HG21 . 15655 1 646 . 1 1 53 53 ILE C C 13 171.39 0.15 . 1 . . . . 53 ILE C . 15655 1 647 . 1 1 53 53 ILE CA C 13 60.19 0.15 . 1 . . . . 53 ILE CA . 15655 1 648 . 1 1 53 53 ILE CB C 13 42.09 0.15 . 1 . . . . 53 ILE CB . 15655 1 649 . 1 1 53 53 ILE CD1 C 13 13.46 0.15 . 1 . . . . 53 ILE CD1 . 15655 1 650 . 1 1 53 53 ILE CG1 C 13 27.82 0.15 . 2 . . . . 53 ILE CG1 . 15655 1 651 . 1 1 53 53 ILE CG2 C 13 15.85 0.15 . 2 . . . . 53 ILE CG2 . 15655 1 652 . 1 1 53 53 ILE N N 15 117.23 0.15 . 1 . . . . 53 ILE N . 15655 1 653 . 1 1 54 54 MET H H 1 8.99 0.02 . 1 . . . . 54 MET HN . 15655 1 654 . 1 1 54 54 MET HA H 1 5.36 0.02 . 1 . . . . 54 MET HA . 15655 1 655 . 1 1 54 54 MET HB2 H 1 2.08 0.02 . 2 . . . . 54 MET HB1 . 15655 1 656 . 1 1 54 54 MET HB3 H 1 1.62 0.02 . 2 . . . . 54 MET HB2 . 15655 1 657 . 1 1 54 54 MET HE1 H 1 1.93 0.02 . 1 . . . . 54 MET HE1 . 15655 1 658 . 1 1 54 54 MET HE2 H 1 1.93 0.02 . 1 . . . . 54 MET HE1 . 15655 1 659 . 1 1 54 54 MET HE3 H 1 1.93 0.02 . 1 . . . . 54 MET HE1 . 15655 1 660 . 1 1 54 54 MET HG2 H 1 2.46 0.02 . 2 . . . . 54 MET HG1 . 15655 1 661 . 1 1 54 54 MET HG3 H 1 2.39 0.02 . 2 . . . . 54 MET HG2 . 15655 1 662 . 1 1 54 54 MET C C 13 175.07 0.15 . 1 . . . . 54 MET C . 15655 1 663 . 1 1 54 54 MET CA C 13 54.12 0.15 . 1 . . . . 54 MET CA . 15655 1 664 . 1 1 54 54 MET CB C 13 35.52 0.15 . 1 . . . . 54 MET CB . 15655 1 665 . 1 1 54 54 MET CE C 13 18.57 0.15 . 1 . . . . 54 MET CE . 15655 1 666 . 1 1 54 54 MET CG C 13 33.02 0.15 . 1 . . . . 54 MET CG . 15655 1 667 . 1 1 54 54 MET N N 15 127.87 0.15 . 1 . . . . 54 MET N . 15655 1 668 . 1 1 55 55 LYS H H 1 8.72 0.02 . 1 . . . . 55 LYS HN . 15655 1 669 . 1 1 55 55 LYS HA H 1 4.50 0.02 . 1 . . . . 55 LYS HA . 15655 1 670 . 1 1 55 55 LYS HB2 H 1 1.55 0.02 . 2 . . . . 55 LYS HB1 . 15655 1 671 . 1 1 55 55 LYS HB3 H 1 1.20 0.02 . 2 . . . . 55 LYS HB2 . 15655 1 672 . 1 1 55 55 LYS HD2 H 1 1.67 0.02 . 2 . . . . 55 LYS HD1 . 15655 1 673 . 1 1 55 55 LYS HD3 H 1 1.28 0.02 . 2 . . . . 55 LYS HD2 . 15655 1 674 . 1 1 55 55 LYS HE2 H 1 2.87 0.02 . 2 . . . . 55 LYS HE1 . 15655 1 675 . 1 1 55 55 LYS HE3 H 1 2.87 0.02 . 2 . . . . 55 LYS HE2 . 15655 1 676 . 1 1 55 55 LYS HG2 H 1 1.09 0.02 . 2 . . . . 55 LYS HG1 . 15655 1 677 . 1 1 55 55 LYS HG3 H 1 1.09 0.02 . 2 . . . . 55 LYS HG2 . 15655 1 678 . 1 1 55 55 LYS C C 13 177.36 0.15 . 1 . . . . 55 LYS C . 15655 1 679 . 1 1 55 55 LYS CA C 13 56.03 0.15 . 1 . . . . 55 LYS CA . 15655 1 680 . 1 1 55 55 LYS CB C 13 34.95 0.15 . 1 . . . . 55 LYS CB . 15655 1 681 . 1 1 55 55 LYS CD C 13 28.50 0.15 . 1 . . . . 55 LYS CD . 15655 1 682 . 1 1 55 55 LYS CE C 13 42.14 0.15 . 1 . . . . 55 LYS CE . 15655 1 683 . 1 1 55 55 LYS CG C 13 24.80 0.15 . 1 . . . . 55 LYS CG . 15655 1 684 . 1 1 55 55 LYS N N 15 125.56 0.15 . 1 . . . . 55 LYS N . 15655 1 685 . 1 1 56 56 GLY H H 1 9.87 0.02 . 1 . . . . 56 GLY HN . 15655 1 686 . 1 1 56 56 GLY HA2 H 1 3.77 0.02 . 2 . . . . 56 GLY HA1 . 15655 1 687 . 1 1 56 56 GLY HA3 H 1 3.85 0.02 . 2 . . . . 56 GLY HA2 . 15655 1 688 . 1 1 56 56 GLY C C 13 174.23 0.15 . 1 . . . . 56 GLY C . 15655 1 689 . 1 1 56 56 GLY CA C 13 47.77 0.15 . 1 . . . . 56 GLY CA . 15655 1 690 . 1 1 56 56 GLY N N 15 120.93 0.15 . 1 . . . . 56 GLY N . 15655 1 691 . 1 1 57 57 ASN H H 1 8.13 0.02 . 1 . . . . 57 ASN HN . 15655 1 692 . 1 1 57 57 ASN HA H 1 4.37 0.02 . 1 . . . . 57 ASN HA . 15655 1 693 . 1 1 57 57 ASN HB2 H 1 2.86 0.02 . 2 . . . . 57 ASN HB1 . 15655 1 694 . 1 1 57 57 ASN HB3 H 1 3.09 0.02 . 2 . . . . 57 ASN HB2 . 15655 1 695 . 1 1 57 57 ASN HD21 H 1 7.51 0.02 . 2 . . . . 57 ASN HD21 . 15655 1 696 . 1 1 57 57 ASN HD22 H 1 6.79 0.02 . 2 . . . . 57 ASN HD22 . 15655 1 697 . 1 1 57 57 ASN C C 13 173.06 0.15 . 1 . . . . 57 ASN C . 15655 1 698 . 1 1 57 57 ASN CA C 13 54.01 0.15 . 1 . . . . 57 ASN CA . 15655 1 699 . 1 1 57 57 ASN CB C 13 37.90 0.15 . 1 . . . . 57 ASN CB . 15655 1 700 . 1 1 57 57 ASN N N 15 113.96 0.15 . 1 . . . . 57 ASN N . 15655 1 701 . 1 1 57 57 ASN ND2 N 15 112.69 0.15 . 1 . . . . 57 ASN ND2 . 15655 1 702 . 1 1 58 58 GLU H H 1 7.42 0.02 . 1 . . . . 58 GLU HN . 15655 1 703 . 1 1 58 58 GLU HA H 1 4.45 0.02 . 1 . . . . 58 GLU HA . 15655 1 704 . 1 1 58 58 GLU HB2 H 1 1.85 0.02 . 2 . . . . 58 GLU HB1 . 15655 1 705 . 1 1 58 58 GLU HB3 H 1 1.85 0.02 . 2 . . . . 58 GLU HB2 . 15655 1 706 . 1 1 58 58 GLU HG2 H 1 2.19 0.02 . 2 . . . . 58 GLU HG1 . 15655 1 707 . 1 1 58 58 GLU HG3 H 1 1.96 0.02 . 2 . . . . 58 GLU HG2 . 15655 1 708 . 1 1 58 58 GLU C C 13 173.98 0.15 . 1 . . . . 58 GLU C . 15655 1 709 . 1 1 58 58 GLU CA C 13 55.14 0.15 . 1 . . . . 58 GLU CA . 15655 1 710 . 1 1 58 58 GLU CG C 13 37.28 0.15 . 1 . . . . 58 GLU CG . 15655 1 711 . 1 1 58 58 GLU N N 15 115.69 0.15 . 1 . . . . 58 GLU N . 15655 1 712 . 1 1 59 59 ILE H H 1 7.87 0.02 . 1 . . . . 59 ILE HN . 15655 1 713 . 1 1 59 59 ILE HA H 1 4.54 0.02 . 1 . . . . 59 ILE HA . 15655 1 714 . 1 1 59 59 ILE HB H 1 1.66 0.02 . 1 . . . . 59 ILE HB . 15655 1 715 . 1 1 59 59 ILE HD11 H 1 0.44 0.02 . 1 . . . . 59 ILE HD11 . 15655 1 716 . 1 1 59 59 ILE HD12 H 1 0.44 0.02 . 1 . . . . 59 ILE HD11 . 15655 1 717 . 1 1 59 59 ILE HD13 H 1 0.44 0.02 . 1 . . . . 59 ILE HD11 . 15655 1 718 . 1 1 59 59 ILE HG12 H 1 1.23 0.02 . 1 . . . . 59 ILE HG11 . 15655 1 719 . 1 1 59 59 ILE HG13 H 1 0.89 0.02 . 1 . . . . 59 ILE HG12 . 15655 1 720 . 1 1 59 59 ILE HG21 H 1 0.51 0.02 . 2 . . . . 59 ILE HG21 . 15655 1 721 . 1 1 59 59 ILE HG22 H 1 0.51 0.02 . 2 . . . . 59 ILE HG21 . 15655 1 722 . 1 1 59 59 ILE HG23 H 1 0.51 0.02 . 2 . . . . 59 ILE HG21 . 15655 1 723 . 1 1 59 59 ILE C C 13 173.54 0.15 . 1 . . . . 59 ILE C . 15655 1 724 . 1 1 59 59 ILE CA C 13 59.07 0.15 . 1 . . . . 59 ILE CA . 15655 1 725 . 1 1 59 59 ILE CB C 13 38.67 0.15 . 1 . . . . 59 ILE CB . 15655 1 726 . 1 1 59 59 ILE CD1 C 13 11.93 0.15 . 1 . . . . 59 ILE CD1 . 15655 1 727 . 1 1 59 59 ILE CG1 C 13 27.75 0.15 . 2 . . . . 59 ILE CG1 . 15655 1 728 . 1 1 59 59 ILE CG2 C 13 17.61 0.15 . 2 . . . . 59 ILE CG2 . 15655 1 729 . 1 1 59 59 ILE N N 15 119.94 0.15 . 1 . . . . 59 ILE N . 15655 1 730 . 1 1 60 60 PHE H H 1 9.10 0.02 . 1 . . . . 60 PHE HN . 15655 1 731 . 1 1 60 60 PHE HA H 1 4.72 0.02 . 1 . . . . 60 PHE HA . 15655 1 732 . 1 1 60 60 PHE HB2 H 1 2.74 0.02 . 2 . . . . 60 PHE HB1 . 15655 1 733 . 1 1 60 60 PHE HB3 H 1 2.40 0.02 . 2 . . . . 60 PHE HB2 . 15655 1 734 . 1 1 60 60 PHE HD1 H 1 6.92 0.02 . 3 . . . . 60 PHE HD1 . 15655 1 735 . 1 1 60 60 PHE HD2 H 1 6.92 0.02 . 3 . . . . 60 PHE HD2 . 15655 1 736 . 1 1 60 60 PHE HE1 H 1 6.97 0.02 . 3 . . . . 60 PHE HE1 . 15655 1 737 . 1 1 60 60 PHE HE2 H 1 6.97 0.02 . 3 . . . . 60 PHE HE2 . 15655 1 738 . 1 1 60 60 PHE HZ H 1 7.09 0.02 . 1 . . . . 60 PHE HZ . 15655 1 739 . 1 1 60 60 PHE C C 13 174.05 0.15 . 1 . . . . 60 PHE C . 15655 1 740 . 1 1 60 60 PHE CA C 13 55.38 0.15 . 1 . . . . 60 PHE CA . 15655 1 741 . 1 1 60 60 PHE CB C 13 41.58 0.15 . 1 . . . . 60 PHE CB . 15655 1 742 . 1 1 60 60 PHE N N 15 126.02 0.15 . 1 . . . . 60 PHE N . 15655 1 743 . 1 1 61 61 ARG H H 1 9.42 0.02 . 1 . . . . 61 ARG HN . 15655 1 744 . 1 1 61 61 ARG HA H 1 5.56 0.02 . 1 . . . . 61 ARG HA . 15655 1 745 . 1 1 61 61 ARG HB2 H 1 1.83 0.02 . 2 . . . . 61 ARG HB1 . 15655 1 746 . 1 1 61 61 ARG HB3 H 1 1.83 0.02 . 2 . . . . 61 ARG HB2 . 15655 1 747 . 1 1 61 61 ARG HD2 H 1 3.29 0.02 . 2 . . . . 61 ARG HD1 . 15655 1 748 . 1 1 61 61 ARG HD3 H 1 3.25 0.02 . 2 . . . . 61 ARG HD2 . 15655 1 749 . 1 1 61 61 ARG HG2 H 1 1.76 0.02 . 2 . . . . 61 ARG HG1 . 15655 1 750 . 1 1 61 61 ARG HG3 H 1 1.61 0.02 . 2 . . . . 61 ARG HG2 . 15655 1 751 . 1 1 61 61 ARG C C 13 175.72 0.15 . 1 . . . . 61 ARG C . 15655 1 752 . 1 1 61 61 ARG CA C 13 53.94 0.15 . 1 . . . . 61 ARG CA . 15655 1 753 . 1 1 61 61 ARG CB C 13 34.43 0.15 . 1 . . . . 61 ARG CB . 15655 1 754 . 1 1 61 61 ARG CD C 13 43.81 0.15 . 1 . . . . 61 ARG CD . 15655 1 755 . 1 1 61 61 ARG CG C 13 26.92 0.15 . 1 . . . . 61 ARG CG . 15655 1 756 . 1 1 61 61 ARG N N 15 121.39 0.15 . 1 . . . . 61 ARG N . 15655 1 757 . 1 1 62 62 LEU H H 1 8.35 0.02 . 1 . . . . 62 LEU HN . 15655 1 758 . 1 1 62 62 LEU HA H 1 3.46 0.02 . 1 . . . . 62 LEU HA . 15655 1 759 . 1 1 62 62 LEU HB2 H 1 1.67 0.02 . 2 . . . . 62 LEU HB1 . 15655 1 760 . 1 1 62 62 LEU HB3 H 1 1.08 0.02 . 2 . . . . 62 LEU HB2 . 15655 1 761 . 1 1 62 62 LEU HD11 H 1 0.50 0.02 . 4 . . . . 62 LEU HD11 . 15655 1 762 . 1 1 62 62 LEU HD12 H 1 0.50 0.02 . 4 . . . . 62 LEU HD11 . 15655 1 763 . 1 1 62 62 LEU HD13 H 1 0.50 0.02 . 4 . . . . 62 LEU HD11 . 15655 1 764 . 1 1 62 62 LEU HD21 H 1 0.30 0.02 . 4 . . . . 62 LEU HD21 . 15655 1 765 . 1 1 62 62 LEU HD22 H 1 0.30 0.02 . 4 . . . . 62 LEU HD21 . 15655 1 766 . 1 1 62 62 LEU HD23 H 1 0.30 0.02 . 4 . . . . 62 LEU HD21 . 15655 1 767 . 1 1 62 62 LEU HG H 1 1.22 0.02 . 1 . . . . 62 LEU HG . 15655 1 768 . 1 1 62 62 LEU C C 13 176.22 0.15 . 1 . . . . 62 LEU C . 15655 1 769 . 1 1 62 62 LEU CA C 13 56.32 0.15 . 1 . . . . 62 LEU CA . 15655 1 770 . 1 1 62 62 LEU CB C 13 43.06 0.15 . 1 . . . . 62 LEU CB . 15655 1 771 . 1 1 62 62 LEU CD1 C 13 25.74 0.15 . 1 . . . . 62 LEU CD1 . 15655 1 772 . 1 1 62 62 LEU CD2 C 13 24.00 0.15 . 2 . . . . 62 LEU CD2 . 15655 1 773 . 1 1 62 62 LEU CG C 13 26.44 0.15 . 1 . . . . 62 LEU CG . 15655 1 774 . 1 1 62 62 LEU N N 15 128.33 0.15 . 1 . . . . 62 LEU N . 15655 1 775 . 1 1 63 63 ASP H H 1 8.63 0.02 . 1 . . . . 63 ASP HN . 15655 1 776 . 1 1 63 63 ASP HA H 1 4.58 0.02 . 1 . . . . 63 ASP HA . 15655 1 777 . 1 1 63 63 ASP HB2 H 1 2.71 0.02 . 2 . . . . 63 ASP HB1 . 15655 1 778 . 1 1 63 63 ASP HB3 H 1 2.21 0.02 . 2 . . . . 63 ASP HB2 . 15655 1 779 . 1 1 63 63 ASP C C 13 176.48 0.15 . 1 . . . . 63 ASP C . 15655 1 780 . 1 1 63 63 ASP CA C 13 54.55 0.15 . 1 . . . . 63 ASP CA . 15655 1 781 . 1 1 63 63 ASP CB C 13 41.77 0.15 . 1 . . . . 63 ASP CB . 15655 1 782 . 1 1 63 63 ASP N N 15 126.71 0.15 . 1 . . . . 63 ASP N . 15655 1 783 . 1 1 64 64 GLU H H 1 8.64 0.02 . 1 . . . . 64 GLU HN . 15655 1 784 . 1 1 64 64 GLU HA H 1 4.10 0.02 . 1 . . . . 64 GLU HA . 15655 1 785 . 1 1 64 64 GLU HB2 H 1 2.04 0.02 . 2 . . . . 64 GLU HB1 . 15655 1 786 . 1 1 64 64 GLU HB3 H 1 1.90 0.02 . 2 . . . . 64 GLU HB2 . 15655 1 787 . 1 1 64 64 GLU HG2 H 1 2.24 0.02 . 2 . . . . 64 GLU HG1 . 15655 1 788 . 1 1 64 64 GLU HG3 H 1 2.24 0.02 . 2 . . . . 64 GLU HG2 . 15655 1 789 . 1 1 64 64 GLU C C 13 176.82 0.15 . 1 . . . . 64 GLU C . 15655 1 790 . 1 1 64 64 GLU CA C 13 57.40 0.15 . 1 . . . . 64 GLU CA . 15655 1 791 . 1 1 64 64 GLU CB C 13 30.08 0.15 . 1 . . . . 64 GLU CB . 15655 1 792 . 1 1 64 64 GLU CG C 13 36.23 0.15 . 1 . . . . 64 GLU CG . 15655 1 793 . 1 1 64 64 GLU N N 15 126.02 0.15 . 1 . . . . 64 GLU N . 15655 1 794 . 1 1 65 65 ALA H H 1 8.51 0.02 . 1 . . . . 65 ALA HN . 15655 1 795 . 1 1 65 65 ALA HA H 1 4.12 0.02 . 1 . . . . 65 ALA HA . 15655 1 796 . 1 1 65 65 ALA HB1 H 1 1.30 0.02 . 1 . . . . 65 ALA HB1 . 15655 1 797 . 1 1 65 65 ALA HB2 H 1 1.30 0.02 . 1 . . . . 65 ALA HB1 . 15655 1 798 . 1 1 65 65 ALA HB3 H 1 1.30 0.02 . 1 . . . . 65 ALA HB1 . 15655 1 799 . 1 1 65 65 ALA C C 13 178.10 0.15 . 1 . . . . 65 ALA C . 15655 1 800 . 1 1 65 65 ALA CA C 13 53.49 0.15 . 1 . . . . 65 ALA CA . 15655 1 801 . 1 1 65 65 ALA CB C 13 18.96 0.15 . 1 . . . . 65 ALA CB . 15655 1 802 . 1 1 65 65 ALA N N 15 123.71 0.15 . 1 . . . . 65 ALA N . 15655 1 803 . 1 1 66 66 LEU H H 1 7.83 0.02 . 1 . . . . 66 LEU HN . 15655 1 804 . 1 1 66 66 LEU HA H 1 4.24 0.02 . 1 . . . . 66 LEU HA . 15655 1 805 . 1 1 66 66 LEU HB2 H 1 1.63 0.02 . 2 . . . . 66 LEU HB1 . 15655 1 806 . 1 1 66 66 LEU HB3 H 1 1.63 0.02 . 2 . . . . 66 LEU HB2 . 15655 1 807 . 1 1 66 66 LEU HD11 H 1 0.95 0.02 . 4 . . . . 66 LEU HD11 . 15655 1 808 . 1 1 66 66 LEU HD12 H 1 0.95 0.02 . 4 . . . . 66 LEU HD11 . 15655 1 809 . 1 1 66 66 LEU HD13 H 1 0.95 0.02 . 4 . . . . 66 LEU HD11 . 15655 1 810 . 1 1 66 66 LEU HD21 H 1 0.81 0.02 . 4 . . . . 66 LEU HD21 . 15655 1 811 . 1 1 66 66 LEU HD22 H 1 0.81 0.02 . 4 . . . . 66 LEU HD21 . 15655 1 812 . 1 1 66 66 LEU HD23 H 1 0.81 0.02 . 4 . . . . 66 LEU HD21 . 15655 1 813 . 1 1 66 66 LEU HG H 1 1.53 0.02 . 1 . . . . 66 LEU HG . 15655 1 814 . 1 1 66 66 LEU C C 13 177.13 0.15 . 1 . . . . 66 LEU C . 15655 1 815 . 1 1 66 66 LEU CA C 13 54.89 0.15 . 1 . . . . 66 LEU CA . 15655 1 816 . 1 1 66 66 LEU CB C 13 41.99 0.15 . 1 . . . . 66 LEU CB . 15655 1 817 . 1 1 66 66 LEU CD1 C 13 25.64 0.15 . 2 . . . . 66 LEU CD1 . 15655 1 818 . 1 1 66 66 LEU CD2 C 13 23.62 0.15 . 2 . . . . 66 LEU CD2 . 15655 1 819 . 1 1 66 66 LEU CG C 13 27.30 0.15 . 1 . . . . 66 LEU CG . 15655 1 820 . 1 1 66 66 LEU N N 15 117.46 0.15 . 1 . . . . 66 LEU N . 15655 1 821 . 1 1 67 67 ARG H H 1 7.83 0.02 . 1 . . . . 67 ARG HN . 15655 1 822 . 1 1 67 67 ARG HA H 1 4.24 0.02 . 1 . . . . 67 ARG HA . 15655 1 823 . 1 1 67 67 ARG HB2 H 1 1.81 0.02 . 2 . . . . 67 ARG HB1 . 15655 1 824 . 1 1 67 67 ARG HB3 H 1 1.71 0.02 . 2 . . . . 67 ARG HB2 . 15655 1 825 . 1 1 67 67 ARG HD2 H 1 3.12 0.02 . 2 . . . . 67 ARG HD1 . 15655 1 826 . 1 1 67 67 ARG HD3 H 1 3.12 0.02 . 2 . . . . 67 ARG HD2 . 15655 1 827 . 1 1 67 67 ARG HG2 H 1 1.61 0.02 . 2 . . . . 67 ARG HG1 . 15655 1 828 . 1 1 67 67 ARG HG3 H 1 1.53 0.02 . 2 . . . . 67 ARG HG2 . 15655 1 829 . 1 1 67 67 ARG C C 13 176.23 0.15 . 1 . . . . 67 ARG C . 15655 1 830 . 1 1 67 67 ARG CA C 13 56.25 0.15 . 1 . . . . 67 ARG CA . 15655 1 831 . 1 1 67 67 ARG CB C 13 30.74 0.15 . 1 . . . . 67 ARG CB . 15655 1 832 . 1 1 67 67 ARG CD C 13 43.46 0.15 . 1 . . . . 67 ARG CD . 15655 1 833 . 1 1 67 67 ARG CG C 13 27.04 0.15 . 1 . . . . 67 ARG CG . 15655 1 834 . 1 1 67 67 ARG N N 15 120.93 0.15 . 1 . . . . 67 ARG N . 15655 1 835 . 1 1 68 68 LYS H H 1 8.28 0.02 . 1 . . . . 68 LYS HN . 15655 1 836 . 1 1 68 68 LYS HA H 1 4.25 0.02 . 1 . . . . 68 LYS HA . 15655 1 837 . 1 1 68 68 LYS HB2 H 1 1.77 0.02 . 2 . . . . 68 LYS HB1 . 15655 1 838 . 1 1 68 68 LYS HB3 H 1 1.71 0.02 . 2 . . . . 68 LYS HB2 . 15655 1 839 . 1 1 68 68 LYS HD2 H 1 1.62 0.02 . 2 . . . . 68 LYS HD1 . 15655 1 840 . 1 1 68 68 LYS HD3 H 1 1.62 0.02 . 2 . . . . 68 LYS HD2 . 15655 1 841 . 1 1 68 68 LYS HE2 H 1 2.94 0.02 . 2 . . . . 68 LYS HE1 . 15655 1 842 . 1 1 68 68 LYS HE3 H 1 2.94 0.02 . 2 . . . . 68 LYS HE2 . 15655 1 843 . 1 1 68 68 LYS HG2 H 1 1.42 0.02 . 2 . . . . 68 LYS HG1 . 15655 1 844 . 1 1 68 68 LYS HG3 H 1 1.37 0.02 . 2 . . . . 68 LYS HG2 . 15655 1 845 . 1 1 68 68 LYS C C 13 177.14 0.15 . 1 . . . . 68 LYS C . 15655 1 846 . 1 1 68 68 LYS CA C 13 56.50 0.15 . 1 . . . . 68 LYS CA . 15655 1 847 . 1 1 68 68 LYS CB C 13 33.01 0.15 . 1 . . . . 68 LYS CB . 15655 1 848 . 1 1 68 68 LYS CD C 13 29.06 0.15 . 1 . . . . 68 LYS CD . 15655 1 849 . 1 1 68 68 LYS CE C 13 42.14 0.15 . 1 . . . . 68 LYS CE . 15655 1 850 . 1 1 68 68 LYS CG C 13 24.74 0.15 . 1 . . . . 68 LYS CG . 15655 1 851 . 1 1 68 68 LYS N N 15 122.78 0.15 . 1 . . . . 68 LYS N . 15655 1 852 . 1 1 69 69 GLY H H 1 8.41 0.02 . 1 . . . . 69 GLY HN . 15655 1 853 . 1 1 69 69 GLY HA2 H 1 3.87 0.02 . 2 . . . . 69 GLY HA1 . 15655 1 854 . 1 1 69 69 GLY HA3 H 1 3.87 0.02 . 2 . . . . 69 GLY HA2 . 15655 1 855 . 1 1 69 69 GLY C C 13 173.89 0.15 . 1 . . . . 69 GLY C . 15655 1 856 . 1 1 69 69 GLY CA C 13 45.20 0.15 . 1 . . . . 69 GLY CA . 15655 1 857 . 1 1 69 69 GLY N N 15 110.06 0.15 . 1 . . . . 69 GLY N . 15655 1 858 . 1 1 70 70 HIS H H 1 8.29 0.02 . 1 . . . . 70 HIS HN . 15655 1 859 . 1 1 70 70 HIS HA H 1 4.67 0.02 . 1 . . . . 70 HIS HA . 15655 1 860 . 1 1 70 70 HIS HB2 H 1 3.22 0.02 . 2 . . . . 70 HIS HB1 . 15655 1 861 . 1 1 70 70 HIS HB3 H 1 3.12 0.02 . 2 . . . . 70 HIS HB2 . 15655 1 862 . 1 1 70 70 HIS HD2 H 1 7.15 0.02 . 3 . . . . 70 HIS HD2 . 15655 1 863 . 1 1 70 70 HIS HE1 H 1 7.09 0.02 . 3 . . . . 70 HIS HE1 . 15655 1 864 . 1 1 70 70 HIS C C 13 174.67 0.15 . 1 . . . . 70 HIS C . 15655 1 865 . 1 1 70 70 HIS CA C 13 55.70 0.15 . 1 . . . . 70 HIS CA . 15655 1 866 . 1 1 70 70 HIS CB C 13 29.51 0.15 . 1 . . . . 70 HIS CB . 15655 1 867 . 1 1 70 70 HIS N N 15 118.39 0.15 . 1 . . . . 70 HIS N . 15655 1 868 . 1 1 71 71 SER H H 1 8.39 0.02 . 1 . . . . 71 SER HN . 15655 1 869 . 1 1 71 71 SER HA H 1 4.42 0.02 . 1 . . . . 71 SER HA . 15655 1 870 . 1 1 71 71 SER HB2 H 1 3.80 0.02 . 2 . . . . 71 SER HB1 . 15655 1 871 . 1 1 71 71 SER HB3 H 1 3.80 0.02 . 2 . . . . 71 SER HB2 . 15655 1 872 . 1 1 71 71 SER C C 13 174.49 0.15 . 1 . . . . 71 SER C . 15655 1 873 . 1 1 71 71 SER CA C 13 58.36 0.15 . 1 . . . . 71 SER CA . 15655 1 874 . 1 1 71 71 SER CB C 13 63.87 0.15 . 1 . . . . 71 SER CB . 15655 1 875 . 1 1 71 71 SER N N 15 117.69 0.15 . 1 . . . . 71 SER N . 15655 1 876 . 1 1 72 72 GLU H H 1 8.59 0.02 . 1 . . . . 72 GLU HN . 15655 1 877 . 1 1 72 72 GLU HA H 1 4.28 0.02 . 1 . . . . 72 GLU HA . 15655 1 878 . 1 1 72 72 GLU HB2 H 1 2.05 0.02 . 2 . . . . 72 GLU HB1 . 15655 1 879 . 1 1 72 72 GLU HB3 H 1 1.90 0.02 . 2 . . . . 72 GLU HB2 . 15655 1 880 . 1 1 72 72 GLU HG2 H 1 2.23 0.02 . 2 . . . . 72 GLU HG1 . 15655 1 881 . 1 1 72 72 GLU HG3 H 1 2.23 0.02 . 2 . . . . 72 GLU HG2 . 15655 1 882 . 1 1 72 72 GLU C C 13 176.84 0.15 . 1 . . . . 72 GLU C . 15655 1 883 . 1 1 72 72 GLU CA C 13 56.87 0.15 . 1 . . . . 72 GLU CA . 15655 1 884 . 1 1 72 72 GLU CB C 13 30.04 0.15 . 1 . . . . 72 GLU CB . 15655 1 885 . 1 1 72 72 GLU CG C 13 36.16 0.15 . 1 . . . . 72 GLU CG . 15655 1 886 . 1 1 72 72 GLU N N 15 123.01 0.15 . 1 . . . . 72 GLU N . 15655 1 887 . 1 1 73 73 GLY H H 1 8.38 0.02 . 1 . . . . 73 GLY HN . 15655 1 888 . 1 1 73 73 GLY HA2 H 1 3.92 0.02 . 2 . . . . 73 GLY HA1 . 15655 1 889 . 1 1 73 73 GLY HA3 H 1 3.92 0.02 . 2 . . . . 73 GLY HA2 . 15655 1 890 . 1 1 73 73 GLY C C 13 173.70 0.15 . 1 . . . . 73 GLY C . 15655 1 891 . 1 1 73 73 GLY CA C 13 45.32 0.15 . 1 . . . . 73 GLY CA . 15655 1 892 . 1 1 73 73 GLY N N 15 110.29 0.15 . 1 . . . . 73 GLY N . 15655 1 893 . 1 1 74 74 GLY H H 1 7.88 0.02 . 1 . . . . 74 GLY HN . 15655 1 894 . 1 1 74 74 GLY HA2 H 1 3.70 0.02 . 2 . . . . 74 GLY HA1 . 15655 1 895 . 1 1 74 74 GLY HA3 H 1 3.70 0.02 . 2 . . . . 74 GLY HA2 . 15655 1 896 . 1 1 74 74 GLY CA C 13 45.87 0.15 . 1 . . . . 74 GLY CA . 15655 1 897 . 1 1 74 74 GLY N N 15 115.15 0.15 . 1 . . . . 74 GLY N . 15655 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 15655 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'includes HN-N and C'Ca couplings' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 7 '3D HNCO-type' . . . 15655 1 7 '3D HNCO-type' . . . 15655 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRPipe . . 15655 1 4 $NMRDraw . . 15655 1 7 $Module . . 15655 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 2 2 ASP H H 1 . . 1 1 2 2 ASP N N 15 . -4.38 . . 2.0 . . . . . . . . . . . 15655 1 2 DNH . 1 1 4 4 SER H H 1 . . 1 1 4 4 SER N N 15 . 7.66 . . 2.0 . . . . . . . . . . . 15655 1 3 DNH . 1 1 6 6 VAL H H 1 . . 1 1 6 6 VAL N N 15 . 3.51 . . 2.0 . . . . . . . . . . . 15655 1 4 DNH . 1 1 7 7 VAL H H 1 . . 1 1 7 7 VAL N N 15 . -6.63 . . 2.0 . . . . . . . . . . . 15655 1 5 DNH . 1 1 8 8 LYS H H 1 . . 1 1 8 8 LYS N N 15 . -3.80 . . 2.0 . . . . . . . . . . . 15655 1 6 DNH . 1 1 9 9 THR H H 1 . . 1 1 9 9 THR N N 15 . -7.02 . . 2.0 . . . . . . . . . . . 15655 1 7 DNH . 1 1 10 10 TYR H H 1 . . 1 1 10 10 TYR N N 15 . -2.87 . . 2.0 . . . . . . . . . . . 15655 1 8 DNH . 1 1 11 11 ASP H H 1 . . 1 1 11 11 ASP N N 15 . -0.54 . . 2.0 . . . . . . . . . . . 15655 1 9 DNH . 1 1 12 12 LEU H H 1 . . 1 1 12 12 LEU N N 15 . 12.37 . . 2.0 . . . . . . . . . . . 15655 1 10 DNH . 1 1 13 13 GLN H H 1 . . 1 1 13 13 GLN N N 15 . 7.37 . . 2.0 . . . . . . . . . . . 15655 1 11 DNH . 1 1 14 14 ASP H H 1 . . 1 1 14 14 ASP N N 15 . -4.73 . . 2.0 . . . . . . . . . . . 15655 1 12 DNH . 1 1 15 15 GLY H H 1 . . 1 1 15 15 GLY N N 15 . 6.21 . . 2.0 . . . . . . . . . . . 15655 1 13 DNH . 1 1 17 17 LYS H H 1 . . 1 1 17 17 LYS N N 15 . 2.15 . . 2.0 . . . . . . . . . . . 15655 1 14 DNH . 1 1 19 19 HIS H H 1 . . 1 1 19 19 HIS N N 15 . -6.88 . . 2.0 . . . . . . . . . . . 15655 1 15 DNH . 1 1 20 20 VAL H H 1 . . 1 1 20 20 VAL N N 15 . -8.07 . . 2.0 . . . . . . . . . . . 15655 1 16 DNH . 1 1 21 21 PHE H H 1 . . 1 1 21 21 PHE N N 15 . -5.70 . . 2.0 . . . . . . . . . . . 15655 1 17 DNH . 1 1 22 22 LYS H H 1 . . 1 1 22 22 LYS N N 15 . 9.10 . . 2.0 . . . . . . . . . . . 15655 1 18 DNH . 1 1 23 23 ASP H H 1 . . 1 1 23 23 ASP N N 15 . 0.07 . . 2.0 . . . . . . . . . . . 15655 1 19 DNH . 1 1 24 24 GLY H H 1 . . 1 1 24 24 GLY N N 15 . -5.99 . . 2.0 . . . . . . . . . . . 15655 1 20 DNH . 1 1 25 25 LYS H H 1 . . 1 1 25 25 LYS N N 15 . 7.92 . . 2.0 . . . . . . . . . . . 15655 1 21 DNH . 1 1 26 26 MET H H 1 . . 1 1 26 26 MET N N 15 . -7.58 . . 2.0 . . . . . . . . . . . 15655 1 22 DNH . 1 1 27 27 GLY H H 1 . . 1 1 27 27 GLY N N 15 . -6.12 . . 2.0 . . . . . . . . . . . 15655 1 23 DNH . 1 1 28 28 MET H H 1 . . 1 1 28 28 MET N N 15 . -3.85 . . 2.0 . . . . . . . . . . . 15655 1 24 DNH . 1 1 29 29 GLU H H 1 . . 1 1 29 29 GLU N N 15 . 3.27 . . 2.0 . . . . . . . . . . . 15655 1 25 DNH . 1 1 30 30 ASN H H 1 . . 1 1 30 30 ASN N N 15 . 8.07 . . 2.0 . . . . . . . . . . . 15655 1 26 DNH . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS N N 15 . 6.20 . . 2.0 . . . . . . . . . . . 15655 1 27 DNH . 1 1 32 32 PHE H H 1 . . 1 1 32 32 PHE N N 15 . -2.92 . . 2.0 . . . . . . . . . . . 15655 1 28 DNH . 1 1 33 33 GLY H H 1 . . 1 1 33 33 GLY N N 15 . 15.61 . . 2.0 . . . . . . . . . . . 15655 1 29 DNH . 1 1 34 34 LYS H H 1 . . 1 1 34 34 LYS N N 15 . 2.65 . . 2.0 . . . . . . . . . . . 15655 1 30 DNH . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER N N 15 . 13.76 . . 2.0 . . . . . . . . . . . 15655 1 31 DNH . 1 1 36 36 MET H H 1 . . 1 1 36 36 MET N N 15 . -5.65 . . 2.0 . . . . . . . . . . . 15655 1 32 DNH . 1 1 40 40 GLU H H 1 . . 1 1 40 40 GLU N N 15 . -5.19 . . 2.0 . . . . . . . . . . . 15655 1 33 DNH . 1 1 41 41 GLY H H 1 . . 1 1 41 41 GLY N N 15 . -7.42 . . 2.0 . . . . . . . . . . . 15655 1 34 DNH . 1 1 42 42 LYS H H 1 . . 1 1 42 42 LYS N N 15 . 7.87 . . 2.0 . . . . . . . . . . . 15655 1 35 DNH . 1 1 43 43 VAL H H 1 . . 1 1 43 43 VAL N N 15 . 1.16 . . 2.0 . . . . . . . . . . . 15655 1 36 DNH . 1 1 44 44 MET H H 1 . . 1 1 44 44 MET N N 15 . -6.79 . . 2.0 . . . . . . . . . . . 15655 1 37 DNH . 1 1 45 45 GLU H H 1 . . 1 1 45 45 GLU N N 15 . -3.99 . . 2.0 . . . . . . . . . . . 15655 1 38 DNH . 1 1 46 46 THR H H 1 . . 1 1 46 46 THR N N 15 . 12.24 . . 2.0 . . . . . . . . . . . 15655 1 39 DNH . 1 1 47 47 ARG H H 1 . . 1 1 47 47 ARG N N 15 . 7.89 . . 2.0 . . . . . . . . . . . 15655 1 40 DNH . 1 1 48 48 ASP H H 1 . . 1 1 48 48 ASP N N 15 . -5.28 . . 2.0 . . . . . . . . . . . 15655 1 41 DNH . 1 1 49 49 GLY H H 1 . . 1 1 49 49 GLY N N 15 . 3.76 . . 2.0 . . . . . . . . . . . 15655 1 42 DNH . 1 1 50 50 THR H H 1 . . 1 1 50 50 THR N N 15 . 14.73 . . 2.0 . . . . . . . . . . . 15655 1 43 DNH . 1 1 51 51 LYS H H 1 . . 1 1 51 51 LYS N N 15 . 1.82 . . 2.0 . . . . . . . . . . . 15655 1 44 DNH . 1 1 52 52 ILE H H 1 . . 1 1 52 52 ILE N N 15 . -3.09 . . 2.0 . . . . . . . . . . . 15655 1 45 DNH . 1 1 53 53 ILE H H 1 . . 1 1 53 53 ILE N N 15 . -8.29 . . 2.0 . . . . . . . . . . . 15655 1 46 DNH . 1 1 54 54 MET H H 1 . . 1 1 54 54 MET N N 15 . -7.88 . . 2.0 . . . . . . . . . . . 15655 1 47 DNH . 1 1 56 56 GLY H H 1 . . 1 1 56 56 GLY N N 15 . -8.30 . . 2.0 . . . . . . . . . . . 15655 1 48 DNH . 1 1 57 57 ASN H H 1 . . 1 1 57 57 ASN N N 15 . -6.24 . . 2.0 . . . . . . . . . . . 15655 1 49 DNH . 1 1 58 58 GLU H H 1 . . 1 1 58 58 GLU N N 15 . -0.46 . . 2.0 . . . . . . . . . . . 15655 1 50 DNH . 1 1 59 59 ILE H H 1 . . 1 1 59 59 ILE N N 15 . -4.48 . . 2.0 . . . . . . . . . . . 15655 1 51 DNH . 1 1 60 60 PHE H H 1 . . 1 1 60 60 PHE N N 15 . -7.07 . . 2.0 . . . . . . . . . . . 15655 1 52 DNH . 1 1 61 61 ARG H H 1 . . 1 1 61 61 ARG N N 15 . -2.66 . . 2.0 . . . . . . . . . . . 15655 1 53 DNH . 1 1 62 62 LEU H H 1 . . 1 1 62 62 LEU N N 15 . 3.68 . . 2.0 . . . . . . . . . . . 15655 1 54 DNH . 1 1 65 65 ALA H H 1 . . 1 1 65 65 ALA N N 15 . -2.97 . . 2.0 . . . . . . . . . . . 15655 1 55 DNH . 1 1 66 66 LEU H H 1 . . 1 1 66 66 LEU N N 15 . 4.53 . . 2.0 . . . . . . . . . . . 15655 1 56 DNH . 1 1 67 67 ARG H H 1 . . 1 1 67 67 ARG N N 15 . -0.07 . . 2.0 . . . . . . . . . . . 15655 1 57 DNH . 1 1 68 68 LYS H H 1 . . 1 1 68 68 LYS N N 15 . -1.32 . . 2.0 . . . . . . . . . . . 15655 1 58 DNH . 1 1 70 70 HIS H H 1 . . 1 1 70 70 HIS N N 15 . -0.49 . . 2.0 . . . . . . . . . . . 15655 1 59 DNH . 1 1 71 71 SER H H 1 . . 1 1 71 71 SER N N 15 . -0.90 . . 2.0 . . . . . . . . . . . 15655 1 60 DNH . 1 1 72 72 GLU H H 1 . . 1 1 72 72 GLU N N 15 . -1.10 . . 2.0 . . . . . . . . . . . 15655 1 61 DNH . 1 1 74 74 GLY H H 1 . . 1 1 74 74 GLY N N 15 . -0.01 . . 2.0 . . . . . . . . . . . 15655 1 62 DCAC . 1 1 1 1 VAL CA C 13 . . 1 1 1 1 VAL C C 13 . 0.91 . . 2.0 . . . . . . . . . . . 15655 1 63 DCAC . 1 1 2 2 ASP CA C 13 . . 1 1 2 2 ASP C C 13 . -16.04 . . 2.0 . . . . . . . . . . . 15655 1 64 DCAC . 1 1 3 3 MET CA C 13 . . 1 1 3 3 MET C C 13 . 1.90 . . 2.0 . . . . . . . . . . . 15655 1 65 DCAC . 1 1 4 4 SER CA C 13 . . 1 1 4 4 SER C C 13 . -0.69 . . 2.0 . . . . . . . . . . . 15655 1 66 DCAC . 1 1 5 5 ASN CA C 13 . . 1 1 5 5 ASN C C 13 . -4.07 . . 2.0 . . . . . . . . . . . 15655 1 67 DCAC . 1 1 6 6 VAL CA C 13 . . 1 1 6 6 VAL C C 13 . 0.23 . . 2.0 . . . . . . . . . . . 15655 1 68 DCAC . 1 1 7 7 VAL CA C 13 . . 1 1 7 7 VAL C C 13 . -0.79 . . 2.0 . . . . . . . . . . . 15655 1 69 DCAC . 1 1 8 8 LYS CA C 13 . . 1 1 8 8 LYS C C 13 . 2.35 . . 2.0 . . . . . . . . . . . 15655 1 70 DCAC . 1 1 9 9 THR CA C 13 . . 1 1 9 9 THR C C 13 . -2.94 . . 2.0 . . . . . . . . . . . 15655 1 71 DCAC . 1 1 10 10 TYR CA C 13 . . 1 1 10 10 TYR C C 13 . 1.35 . . 2.0 . . . . . . . . . . . 15655 1 72 DCAC . 1 1 11 11 ASP CA C 13 . . 1 1 11 11 ASP C C 13 . -2.05 . . 2.0 . . . . . . . . . . . 15655 1 73 DCAC . 1 1 12 12 LEU CA C 13 . . 1 1 12 12 LEU C C 13 . 2.72 . . 2.0 . . . . . . . . . . . 15655 1 74 DCAC . 1 1 13 13 GLN CA C 13 . . 1 1 13 13 GLN C C 13 . -1.12 . . 2.0 . . . . . . . . . . . 15655 1 75 DCAC . 1 1 14 14 ASP CA C 13 . . 1 1 14 14 ASP C C 13 . -4.97 . . 2.0 . . . . . . . . . . . 15655 1 76 DCAC . 1 1 15 15 GLY CA C 13 . . 1 1 15 15 GLY C C 13 . 1.54 . . 2.0 . . . . . . . . . . . 15655 1 77 DCAC . 1 1 16 16 SER CA C 13 . . 1 1 16 16 SER C C 13 . 2.62 . . 2.0 . . . . . . . . . . . 15655 1 78 DCAC . 1 1 17 17 LYS CA C 13 . . 1 1 17 17 LYS C C 13 . 2.93 . . 2.0 . . . . . . . . . . . 15655 1 79 DCAC . 1 1 18 18 VAL CA C 13 . . 1 1 18 18 VAL C C 13 . 1.61 . . 2.0 . . . . . . . . . . . 15655 1 80 DCAC . 1 1 19 19 HIS CA C 13 . . 1 1 19 19 HIS C C 13 . 2.07 . . 2.0 . . . . . . . . . . . 15655 1 81 DCAC . 1 1 20 20 VAL CA C 13 . . 1 1 20 20 VAL C C 13 . -1.88 . . 2.0 . . . . . . . . . . . 15655 1 82 DCAC . 1 1 21 21 PHE CA C 13 . . 1 1 21 21 PHE C C 13 . 2.47 . . 2.0 . . . . . . . . . . . 15655 1 83 DCAC . 1 1 22 22 LYS CA C 13 . . 1 1 22 22 LYS C C 13 . 2.39 . . 2.0 . . . . . . . . . . . 15655 1 84 DCAC . 1 1 23 23 ASP CA C 13 . . 1 1 23 23 ASP C C 13 . -2.71 . . 2.0 . . . . . . . . . . . 15655 1 85 DCAC . 1 1 24 24 GLY CA C 13 . . 1 1 24 24 GLY C C 13 . 2.60 . . 2.0 . . . . . . . . . . . 15655 1 86 DCAC . 1 1 25 25 LYS CA C 13 . . 1 1 25 25 LYS C C 13 . 0.32 . . 2.0 . . . . . . . . . . . 15655 1 87 DCAC . 1 1 26 26 MET CA C 13 . . 1 1 26 26 MET C C 13 . -0.13 . . 2.0 . . . . . . . . . . . 15655 1 88 DCAC . 1 1 27 27 GLY CA C 13 . . 1 1 27 27 GLY C C 13 . 1.94 . . 2.0 . . . . . . . . . . . 15655 1 89 DCAC . 1 1 28 28 MET CA C 13 . . 1 1 28 28 MET C C 13 . -2.99 . . 2.0 . . . . . . . . . . . 15655 1 90 DCAC . 1 1 29 29 GLU CA C 13 . . 1 1 29 29 GLU C C 13 . 1.22 . . 2.0 . . . . . . . . . . . 15655 1 91 DCAC . 1 1 30 30 ASN CA C 13 . . 1 1 30 30 ASN C C 13 . 1.55 . . 2.0 . . . . . . . . . . . 15655 1 92 DCAC . 1 1 31 31 LYS CA C 13 . . 1 1 31 31 LYS C C 13 . -5.19 . . 2.0 . . . . . . . . . . . 15655 1 93 DCAC . 1 1 32 32 PHE CA C 13 . . 1 1 32 32 PHE C C 13 . 0.74 . . 2.0 . . . . . . . . . . . 15655 1 94 DCAC . 1 1 33 33 GLY CA C 13 . . 1 1 33 33 GLY C C 13 . 2.86 . . 2.0 . . . . . . . . . . . 15655 1 95 DCAC . 1 1 34 34 LYS CA C 13 . . 1 1 34 34 LYS C C 13 . -1.59 . . 2.0 . . . . . . . . . . . 15655 1 96 DCAC . 1 1 35 35 SER CA C 13 . . 1 1 35 35 SER C C 13 . 0.03 . . 2.0 . . . . . . . . . . . 15655 1 97 DCAC . 1 1 36 36 MET CA C 13 . . 1 1 36 36 MET C C 13 . -0.24 . . 2.0 . . . . . . . . . . . 15655 1 98 DCAC . 1 1 37 37 ASN CA C 13 . . 1 1 37 37 ASN C C 13 . -3.15 . . 2.0 . . . . . . . . . . . 15655 1 99 DCAC . 1 1 39 39 PRO CA C 13 . . 1 1 39 39 PRO C C 13 . -1.60 . . 2.0 . . . . . . . . . . . 15655 1 100 DCAC . 1 1 40 40 GLU CA C 13 . . 1 1 40 40 GLU C C 13 . -3.28 . . 2.0 . . . . . . . . . . . 15655 1 101 DCAC . 1 1 41 41 GLY CA C 13 . . 1 1 41 41 GLY C C 13 . 2.37 . . 2.0 . . . . . . . . . . . 15655 1 102 DCAC . 1 1 42 42 LYS CA C 13 . . 1 1 42 42 LYS C C 13 . 2.83 . . 2.0 . . . . . . . . . . . 15655 1 103 DCAC . 1 1 43 43 VAL CA C 13 . . 1 1 43 43 VAL C C 13 . -1.33 . . 2.0 . . . . . . . . . . . 15655 1 104 DCAC . 1 1 44 44 MET CA C 13 . . 1 1 44 44 MET C C 13 . 2.22 . . 2.0 . . . . . . . . . . . 15655 1 105 DCAC . 1 1 45 45 GLU CA C 13 . . 1 1 45 45 GLU C C 13 . -3.31 . . 2.0 . . . . . . . . . . . 15655 1 106 DCAC . 1 1 46 46 THR CA C 13 . . 1 1 46 46 THR C C 13 . 2.99 . . 2.0 . . . . . . . . . . . 15655 1 107 DCAC . 1 1 47 47 ARG CA C 13 . . 1 1 47 47 ARG C C 13 . -0.33 . . 2.0 . . . . . . . . . . . 15655 1 108 DCAC . 1 1 48 48 ASP CA C 13 . . 1 1 48 48 ASP C C 13 . -5.09 . . 2.0 . . . . . . . . . . . 15655 1 109 DCAC . 1 1 49 49 GLY CA C 13 . . 1 1 49 49 GLY C C 13 . 0.67 . . 2.0 . . . . . . . . . . . 15655 1 110 DCAC . 1 1 50 50 THR CA C 13 . . 1 1 50 50 THR C C 13 . 2.35 . . 2.0 . . . . . . . . . . . 15655 1 111 DCAC . 1 1 51 51 LYS CA C 13 . . 1 1 51 51 LYS C C 13 . 2.43 . . 2.0 . . . . . . . . . . . 15655 1 112 DCAC . 1 1 52 52 ILE CA C 13 . . 1 1 52 52 ILE C C 13 . 3.46 . . 2.0 . . . . . . . . . . . 15655 1 113 DCAC . 1 1 53 53 ILE CA C 13 . . 1 1 53 53 ILE C C 13 . 1.00 . . 2.0 . . . . . . . . . . . 15655 1 114 DCAC . 1 1 54 54 MET CA C 13 . . 1 1 54 54 MET C C 13 . 1.64 . . 2.0 . . . . . . . . . . . 15655 1 115 DCAC . 1 1 55 55 LYS CA C 13 . . 1 1 55 55 LYS C C 13 . 0.95 . . 2.0 . . . . . . . . . . . 15655 1 116 DCAC . 1 1 56 56 GLY CA C 13 . . 1 1 56 56 GLY C C 13 . -2.17 . . 2.0 . . . . . . . . . . . 15655 1 117 DCAC . 1 1 57 57 ASN CA C 13 . . 1 1 57 57 ASN C C 13 . 1.95 . . 2.0 . . . . . . . . . . . 15655 1 118 DCAC . 1 1 58 58 GLU CA C 13 . . 1 1 58 58 GLU C C 13 . 2.25 . . 2.0 . . . . . . . . . . . 15655 1 119 DCAC . 1 1 59 59 ILE CA C 13 . . 1 1 59 59 ILE C C 13 . -3.18 . . 2.0 . . . . . . . . . . . 15655 1 120 DCAC . 1 1 60 60 PHE CA C 13 . . 1 1 60 60 PHE C C 13 . 2.71 . . 2.0 . . . . . . . . . . . 15655 1 121 DCAC . 1 1 61 61 ARG CA C 13 . . 1 1 61 61 ARG C C 13 . -6.23 . . 2.0 . . . . . . . . . . . 15655 1 122 DCAC . 1 1 62 62 LEU CA C 13 . . 1 1 62 62 LEU C C 13 . -5.57 . . 2.0 . . . . . . . . . . . 15655 1 123 DCAC . 1 1 63 63 ASP CA C 13 . . 1 1 63 63 ASP C C 13 . -1.30 . . 2.0 . . . . . . . . . . . 15655 1 124 DCAC . 1 1 64 64 GLU CA C 13 . . 1 1 64 64 GLU C C 13 . -2.56 . . 2.0 . . . . . . . . . . . 15655 1 125 DCAC . 1 1 65 65 ALA CA C 13 . . 1 1 65 65 ALA C C 13 . -0.30 . . 2.0 . . . . . . . . . . . 15655 1 126 DCAC . 1 1 66 66 LEU CA C 13 . . 1 1 66 66 LEU C C 13 . 0.59 . . 2.0 . . . . . . . . . . . 15655 1 127 DCAC . 1 1 67 67 ARG CA C 13 . . 1 1 67 67 ARG C C 13 . 0.31 . . 2.0 . . . . . . . . . . . 15655 1 128 DCAC . 1 1 68 68 LYS CA C 13 . . 1 1 68 68 LYS C C 13 . -1.58 . . 2.0 . . . . . . . . . . . 15655 1 129 DCAC . 1 1 69 69 GLY CA C 13 . . 1 1 69 69 GLY C C 13 . -0.14 . . 2.0 . . . . . . . . . . . 15655 1 130 DCAC . 1 1 70 70 HIS CA C 13 . . 1 1 70 70 HIS C C 13 . -0.44 . . 2.0 . . . . . . . . . . . 15655 1 131 DCAC . 1 1 71 71 SER CA C 13 . . 1 1 71 71 SER C C 13 . -0.28 . . 2.0 . . . . . . . . . . . 15655 1 132 DCAC . 1 1 72 72 GLU CA C 13 . . 1 1 72 72 GLU C C 13 . -0.56 . . 2.0 . . . . . . . . . . . 15655 1 133 DCAC . 1 1 73 73 GLY CA C 13 . . 1 1 73 73 GLY C C 13 . -0.67 . . 2.0 . . . . . . . . . . . 15655 1 stop_ save_ ######################## # Kinetic parameters # ######################## ############################# # Hydrogen exchange rates # ############################# save_H_exch_rate_list_1 _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rate_list_1 _H_exch_rate_list.Entry_ID 15655 _H_exch_rate_list.ID 1 _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details . _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 11 2D-Sofast . . . 15655 1 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 3 3 MET H H 1 1.158e01 . . 1.932e02 . . 3 MET H 15655 1 2 . 1 1 4 4 SER H H 1 1.398e01 . . 1.126e02 . . 4 SER H 15655 1 3 . 1 1 5 5 ASN H H 1 1.377e01 . . 2.051e02 . . 5 ASN H 15655 1 4 . 1 1 6 6 VAL H H 1 1.900e02 . . 3.648e04 . . 6 VAL H 15655 1 5 . 1 1 7 7 VAL H H 1 5.384e04 . . 2.000e05 . . 7 VAL H 15655 1 6 . 1 1 8 8 LYS H H 1 6.000e04 . . 5.243e05 . . 8 LYS H 15655 1 7 . 1 1 9 9 THR H H 1 4.629e02 . . 1.825e03 . . 9 THR H 15655 1 8 . 1 1 10 10 TYR H H 1 3.081e04 . . 1.000e05 . . 10 TYR H 15655 1 9 . 1 1 11 11 ASP H H 1 4.547e02 . . 1.938e03 . . 11 ASP H 15655 1 10 . 1 1 12 12 LEU H H 1 1.149e04 . . 4.000e06 . . 12 LEU H 15655 1 11 . 1 1 14 14 ASP H H 1 1.318e01 . . 7.979e03 . . 14 ASP H 15655 1 12 . 1 1 15 15 GLY H H 1 2.223e02 . . 7.862e04 . . 15 GLY H 15655 1 13 . 1 1 16 16 SER H H 1 1.245e03 . . 8.000e05 . . 16 SER H 15655 1 14 . 1 1 17 17 LYS H H 1 8.525e04 . . 5.000e05 . . 17 LYS H 15655 1 15 . 1 1 18 18 VAL H H 1 1.253e04 . . 6.000e06 . . 18 VAL H 15655 1 16 . 1 1 19 19 HIS H H 1 3.278e03 . . 4.500e04 . . 19 HIS H 15655 1 17 . 1 1 20 20 VAL H H 1 7.432e04 . . 5.000e05 . . 20 VAL H 15655 1 18 . 1 1 22 22 LYS H H 1 1.213e02 . . 1.800e04 . . 22 LYS H 15655 1 19 . 1 1 23 23 ASP H H 1 5.505e02 . . 9.026e03 . . 23 ASP H 15655 1 20 . 1 1 25 25 LYS H H 1 3.089e03 . . 3.000e04 . . 25 LYS H 15655 1 21 . 1 1 26 26 MET H H 1 4.500e03 . . 5.000e04 . . 26 MET H 15655 1 22 . 1 1 27 27 GLY H H 1 9.560e04 . . 2.500e05 . . 27 GLY H 15655 1 23 . 1 1 28 28 MET H H 1 3.323e02 . . 1.146e03 . . 28 MET H 15655 1 24 . 1 1 29 29 GLU H H 1 2.744e03 . . 3.000e04 . . 29 GLU H 15655 1 25 . 1 1 30 30 ASN H H 1 2.852e02 . . 1.095e03 . . 30 ASN H 15655 1 26 . 1 1 31 31 LYS H H 1 4.420e03 . . 3.629e04 . . 31 LYS H 15655 1 27 . 1 1 32 32 PHE H H 1 1.337e02 . . 4.665e04 . . 32 PHE H 15655 1 28 . 1 1 34 34 LYS H H 1 2.035e02 . . 4.699e04 . . 34 LYS H 15655 1 29 . 1 1 35 35 SER H H 1 1.245e01 . . 1.441e02 . . 35 SER H 15655 1 30 . 1 1 40 40 GLU H H 1 6.861e02 . . 2.797e03 . . 40 GLU H 15655 1 31 . 1 1 41 41 GLY H H 1 4.597e02 . . 3.304e03 . . 41 GLY H 15655 1 32 . 1 1 42 42 LYS H H 1 3.087e03 . . 1.091e04 . . 42 LYS H 15655 1 33 . 1 1 43 43 VAL H H 1 3.516e02 . . 1.409e03 . . 43 VAL H 15655 1 34 . 1 1 44 44 MET H H 1 4.356e04 . . 1.000e05 . . 44 MET H 15655 1 35 . 1 1 45 45 GLU H H 1 2.589e02 . . 1.002e03 . . 45 GLU H 15655 1 36 . 1 1 46 46 THR H H 1 9.649e04 . . 1.000e05 . . 46 THR H 15655 1 37 . 1 1 47 47 ARG H H 1 2.969e02 . . 1.472e03 . . 47 ARG H 15655 1 38 . 1 1 48 48 ASP H H 1 1.556e01 . . 2.003e02 . . 48 ASP H 15655 1 39 . 1 1 49 49 GLY H H 1 2.460e02 . . 1.097e03 . . 49 GLY H 15655 1 40 . 1 1 50 50 THR H H 1 3.308e02 . . 1.306e03 . . 50 THR H 15655 1 41 . 1 1 51 51 LYS H H 1 1.189e02 . . 3.462e04 . . 51 LYS H 15655 1 42 . 1 1 52 52 ILE H H 1 1.214e04 . . 5.000e06 . . 52 ILE H 15655 1 43 . 1 1 53 53 ILE H H 1 9.565e05 . . 1.049e06 . . 53 ILE H 15655 1 44 . 1 1 54 54 MET H H 1 6.800e04 . . 8.546e05 . . 54 MET H 15655 1 45 . 1 1 55 55 LYS H H 1 2.680e03 . . 1.000e04 . . 55 LYS H 15655 1 46 . 1 1 56 56 GLY H H 1 1.267e01 . . 4.631e02 . . 56 GLY H 15655 1 47 . 1 1 57 57 ASN H H 1 9.022e02 . . 9.953e03 . . 57 ASN H 15655 1 48 . 1 1 58 58 GLU H H 1 2.806e03 . . 2.121e04 . . 58 GLU H 15655 1 49 . 1 1 59 59 ILE H H 1 7.266e04 . . 5.000e05 . . 59 ILE H 15655 1 50 . 1 1 61 61 ARG H H 1 4.568e03 . . 3.917e04 . . 61 ARG H 15655 1 51 . 1 1 62 62 LEU H H 1 2.277e03 . . 2.157e04 . . 62 LEU H 15655 1 52 . 1 1 63 63 ASP H H 1 3.226e02 . . 3.639e03 . . 63 ASP H 15655 1 53 . 1 1 64 64 GLU H H 1 7.773e02 . . 9.734e03 . . 64 GLU H 15655 1 54 . 1 1 65 65 ALA H H 1 1.574e01 . . 1.955e02 . . 65 ALA H 15655 1 55 . 1 1 66 66 LEU H H 1 8.475e02 . . 4.061e03 . . 66 LEU H 15655 1 56 . 1 1 67 67 ARG H H 1 1.123e01 . . 7.625e03 . . 67 ARG H 15655 1 57 . 1 1 68 68 LYS H H 1 1.245e01 . . 1.033e02 . . 68 LYS H 15655 1 58 . 1 1 69 69 GLY H H 1 7.493e02 . . 1.435e02 . . 69 GLY H 15655 1 59 . 1 1 70 70 HIS H H 1 9.240e02 . . 1.667e02 . . 70 HIS H 15655 1 60 . 1 1 71 71 SER H H 1 5.172e02 . . 7.448e03 . . 71 SER H 15655 1 61 . 1 1 72 72 GLU H H 1 1.038e01 . . 1.064e02 . . 72 GLU H 15655 1 62 . 1 1 73 73 GLY H H 1 1.146e01 . . 9.228e03 . . 73 GLY H 15655 1 63 . 1 1 74 74 GLY H H 1 7.198e02 . . 1.228e03 . . 74 GLY H 15655 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15655 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 9 relaxation . . . 15655 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $NMRView . . 15655 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 ASP N N 15 . 1 1 2 2 ASP H H 1 0.1669 0.0607 . . . . . . . . . . 15655 1 2 . 1 1 3 3 MET N N 15 . 1 1 3 3 MET H H 1 0.3089 0.0219 . . . . . . . . . . 15655 1 3 . 1 1 4 4 SER N N 15 . 1 1 4 4 SER H H 1 0.4563 0.0305 . . . . . . . . . . 15655 1 4 . 1 1 5 5 ASN N N 15 . 1 1 5 5 ASN H H 1 0.4651 0.0276 . . . . . . . . . . 15655 1 5 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 0.6969 0.0465 . . . . . . . . . . 15655 1 6 . 1 1 7 7 VAL N N 15 . 1 1 7 7 VAL H H 1 0.5886 0.0836 . . . . . . . . . . 15655 1 7 . 1 1 8 8 LYS N N 15 . 1 1 8 8 LYS H H 1 0.753 0.0867 . . . . . . . . . . 15655 1 8 . 1 1 9 9 THR N N 15 . 1 1 9 9 THR H H 1 0.8078 0.0825 . . . . . . . . . . 15655 1 9 . 1 1 10 10 TYR N N 15 . 1 1 10 10 TYR H H 1 0.8221 0.0907 . . . . . . . . . . 15655 1 10 . 1 1 11 11 ASP N N 15 . 1 1 11 11 ASP H H 1 0.7818 0.0536 . . . . . . . . . . 15655 1 11 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.8093 0.1357 . . . . . . . . . . 15655 1 12 . 1 1 14 14 ASP N N 15 . 1 1 14 14 ASP H H 1 0.7527 0.0385 . . . . . . . . . . 15655 1 13 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.7466 0.0547 . . . . . . . . . . 15655 1 14 . 1 1 16 16 SER N N 15 . 1 1 16 16 SER H H 1 0.7104 0.0556 . . . . . . . . . . 15655 1 15 . 1 1 17 17 LYS N N 15 . 1 1 17 17 LYS H H 1 0.8517 0.0843 . . . . . . . . . . 15655 1 16 . 1 1 18 18 VAL N N 15 . 1 1 18 18 VAL H H 1 0.7083 0.0619 . . . . . . . . . . 15655 1 17 . 1 1 19 19 HIS N N 15 . 1 1 19 19 HIS H H 1 0.6884 0.0493 . . . . . . . . . . 15655 1 18 . 1 1 20 20 VAL N N 15 . 1 1 20 20 VAL H H 1 0.6703 0.0723 . . . . . . . . . . 15655 1 19 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.7452 0.0813 . . . . . . . . . . 15655 1 20 . 1 1 23 23 ASP N N 15 . 1 1 23 23 ASP H H 1 0.6591 0.0407 . . . . . . . . . . 15655 1 21 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.6857 0.0412 . . . . . . . . . . 15655 1 22 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.5931 0.0533 . . . . . . . . . . 15655 1 23 . 1 1 26 26 MET N N 15 . 1 1 26 26 MET H H 1 0.6641 0.0424 . . . . . . . . . . 15655 1 24 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.6836 0.0441 . . . . . . . . . . 15655 1 25 . 1 1 28 28 MET N N 15 . 1 1 28 28 MET H H 1 0.6955 0.0617 . . . . . . . . . . 15655 1 26 . 1 1 29 29 GLU N N 15 . 1 1 29 29 GLU H H 1 0.7899 0.0674 . . . . . . . . . . 15655 1 27 . 1 1 30 30 ASN N N 15 . 1 1 30 30 ASN H H 1 0.7935 0.05 . . . . . . . . . . 15655 1 28 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.8347 0.0723 . . . . . . . . . . 15655 1 29 . 1 1 32 32 PHE N N 15 . 1 1 32 32 PHE H H 1 0.7018 0.0432 . . . . . . . . . . 15655 1 30 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.7382 0.0409 . . . . . . . . . . 15655 1 31 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 0.7529 0.0423 . . . . . . . . . . 15655 1 32 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 0.6628 0.0353 . . . . . . . . . . 15655 1 33 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.6077 0.0379 . . . . . . . . . . 15655 1 34 . 1 1 38 38 MET N N 15 . 1 1 38 38 MET H H 1 0.5752 0.0493 . . . . . . . . . . 15655 1 35 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.6131 0.0415 . . . . . . . . . . 15655 1 36 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.8471 0.1415 . . . . . . . . . . 15655 1 37 . 1 1 42 42 LYS N N 15 . 1 1 42 42 LYS H H 1 0.7644 0.07 . . . . . . . . . . 15655 1 38 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.7967 0.1027 . . . . . . . . . . 15655 1 39 . 1 1 44 44 MET N N 15 . 1 1 44 44 MET H H 1 0.6538 0.0844 . . . . . . . . . . 15655 1 40 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.8194 0.102 . . . . . . . . . . 15655 1 41 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.7451 0.0871 . . . . . . . . . . 15655 1 42 . 1 1 47 47 ARG N N 15 . 1 1 47 47 ARG H H 1 0.7198 0.1129 . . . . . . . . . . 15655 1 43 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.674 0.0611 . . . . . . . . . . 15655 1 44 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.7376 0.0959 . . . . . . . . . . 15655 1 45 . 1 1 50 50 THR N N 15 . 1 1 50 50 THR H H 1 0.7075 0.0808 . . . . . . . . . . 15655 1 46 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.9574 0.16 . . . . . . . . . . 15655 1 47 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.77 0.1198 . . . . . . . . . . 15655 1 48 . 1 1 53 53 ILE N N 15 . 1 1 53 53 ILE H H 1 0.7939 0.1209 . . . . . . . . . . 15655 1 49 . 1 1 54 54 MET N N 15 . 1 1 54 54 MET H H 1 0.9466 0.183 . . . . . . . . . . 15655 1 50 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.8438 0.103 . . . . . . . . . . 15655 1 51 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.8846 0.1303 . . . . . . . . . . 15655 1 52 . 1 1 57 57 ASN N N 15 . 1 1 57 57 ASN H H 1 1.067 0.2255 . . . . . . . . . . 15655 1 53 . 1 1 58 58 GLU N N 15 . 1 1 58 58 GLU H H 1 0.8121 0.0869 . . . . . . . . . . 15655 1 54 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.8239 0.1212 . . . . . . . . . . 15655 1 55 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.668 0.0912 . . . . . . . . . . 15655 1 56 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.8611 0.1456 . . . . . . . . . . 15655 1 57 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.9452 0.2233 . . . . . . . . . . 15655 1 58 . 1 1 64 64 GLU N N 15 . 1 1 64 64 GLU H H 1 0.5904 0.0726 . . . . . . . . . . 15655 1 59 . 1 1 65 65 ALA N N 15 . 1 1 65 65 ALA H H 1 0.527 0.0345 . . . . . . . . . . 15655 1 60 . 1 1 66 66 LEU N N 15 . 1 1 66 66 LEU H H 1 0.6314 0.0718 . . . . . . . . . . 15655 1 61 . 1 1 67 67 ARG N N 15 . 1 1 67 67 ARG H H 1 0.431 0.0282 . . . . . . . . . . 15655 1 62 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.3009 0.0263 . . . . . . . . . . 15655 1 63 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.0732 0.018 . . . . . . . . . . 15655 1 64 . 1 1 70 70 HIS N N 15 . 1 1 70 70 HIS H H 1 0.009 0.0212 . . . . . . . . . . 15655 1 65 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 -0.3854 -0.0324 . . . . . . . . . . 15655 1 66 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 -0.6072 -0.0215 . . . . . . . . . . 15655 1 67 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 -1.2664 -0.0301 . . . . . . . . . . 15655 1 68 . 1 1 74 74 GLY N N 15 . 1 1 74 74 GLY H H 1 -1.8044 -0.0361 . . . . . . . . . . 15655 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15655 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 9 '3D 15N NOESY-HSQC' . . . 15655 1 11 relaxation . . . 15655 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $NMRView . . 15655 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ASP N N 15 1.9577 0.1225 . . . . . 15655 1 2 . 1 1 3 3 MET N N 15 1.6597 0.0257 . . . . . 15655 1 3 . 1 1 4 4 SER N N 15 1.419 0.0164 . . . . . 15655 1 4 . 1 1 5 5 ASN N N 15 1.4224 0.0236 . . . . . 15655 1 5 . 1 1 6 6 VAL N N 15 1.2246 0.0218 . . . . . 15655 1 6 . 1 1 7 7 VAL N N 15 1.4106 0.0852 . . . . . 15655 1 7 . 1 1 8 8 LYS N N 15 1.3629 0.0471 . . . . . 15655 1 8 . 1 1 9 9 THR N N 15 1.34 0.0393 . . . . . 15655 1 9 . 1 1 10 10 TYR N N 15 1.2684 0.0604 . . . . . 15655 1 10 . 1 1 11 11 ASP N N 15 1.2108 0.0337 . . . . . 15655 1 11 . 1 1 12 12 LEU N N 15 1.2188 0.0644 . . . . . 15655 1 12 . 1 1 14 14 ASP N N 15 1.2748 0.0211 . . . . . 15655 1 13 . 1 1 15 15 GLY N N 15 1.1714 0.0335 . . . . . 15655 1 14 . 1 1 16 16 SER N N 15 1.2533 0.033 . . . . . 15655 1 15 . 1 1 17 17 LYS N N 15 1.3865 0.0448 . . . . . 15655 1 16 . 1 1 18 18 VAL N N 15 1.3504 0.0446 . . . . . 15655 1 17 . 1 1 19 19 HIS N N 15 1.5251 0.0508 . . . . . 15655 1 18 . 1 1 20 20 VAL N N 15 1.3554 0.0518 . . . . . 15655 1 19 . 1 1 22 22 LYS N N 15 1.1576 0.0364 . . . . . 15655 1 20 . 1 1 23 23 ASP N N 15 1.2438 0.0232 . . . . . 15655 1 21 . 1 1 25 25 LYS N N 15 1.2204 0.0328 . . . . . 15655 1 22 . 1 1 26 26 MET N N 15 1.2579 0.0207 . . . . . 15655 1 23 . 1 1 27 27 GLY N N 15 1.3247 0.0368 . . . . . 15655 1 24 . 1 1 28 28 MET N N 15 1.3074 0.035 . . . . . 15655 1 25 . 1 1 29 29 GLU N N 15 1.3973 0.0459 . . . . . 15655 1 26 . 1 1 30 30 ASN N N 15 1.2942 0.0274 . . . . . 15655 1 27 . 1 1 31 31 LYS N N 15 1.3222 0.0285 . . . . . 15655 1 28 . 1 1 32 32 PHE N N 15 1.2556 0.0259 . . . . . 15655 1 29 . 1 1 34 34 LYS N N 15 1.4166 0.0235 . . . . . 15655 1 30 . 1 1 35 35 SER N N 15 1.2064 0.0207 . . . . . 15655 1 31 . 1 1 38 38 MET N N 15 1.1947 0.0348 . . . . . 15655 1 32 . 1 1 40 40 GLU N N 15 1.1299 0.0247 . . . . . 15655 1 33 . 1 1 41 41 GLY N N 15 1.393 0.0706 . . . . . 15655 1 34 . 1 1 42 42 LYS N N 15 1.2027 0.0372 . . . . . 15655 1 35 . 1 1 43 43 VAL N N 15 1.2447 0.0513 . . . . . 15655 1 36 . 1 1 44 44 MET N N 15 1.3087 0.0588 . . . . . 15655 1 37 . 1 1 45 45 GLU N N 15 1.185 0.0349 . . . . . 15655 1 38 . 1 1 46 46 THR N N 15 1.1629 0.0537 . . . . . 15655 1 39 . 1 1 47 47 ARG N N 15 1.3353 0.0612 . . . . . 15655 1 40 . 1 1 48 48 ASP N N 15 1.3438 0.0395 . . . . . 15655 1 41 . 1 1 49 49 GLY N N 15 1.1837 0.0489 . . . . . 15655 1 42 . 1 1 50 50 THR N N 15 1.1502 0.0431 . . . . . 15655 1 43 . 1 1 51 51 LYS N N 15 1.2835 0.0534 . . . . . 15655 1 44 . 1 1 52 52 ILE N N 15 1.2919 0.0718 . . . . . 15655 1 45 . 1 1 53 53 ILE N N 15 1.3422 0.057 . . . . . 15655 1 46 . 1 1 54 54 MET N N 15 1.3804 0.0924 . . . . . 15655 1 47 . 1 1 55 55 LYS N N 15 1.3688 0.06 . . . . . 15655 1 48 . 1 1 56 56 GLY N N 15 1.5671 0.0808 . . . . . 15655 1 49 . 1 1 57 57 ASN N N 15 1.3242 0.0919 . . . . . 15655 1 50 . 1 1 58 58 GLU N N 15 1.2779 0.0406 . . . . . 15655 1 51 . 1 1 59 59 ILE N N 15 1.2461 0.0854 . . . . . 15655 1 52 . 1 1 61 61 ARG N N 15 1.2816 0.0611 . . . . . 15655 1 53 . 1 1 62 62 LEU N N 15 1.1805 0.0758 . . . . . 15655 1 54 . 1 1 63 63 ASP N N 15 1.3205 0.099 . . . . . 15655 1 55 . 1 1 64 64 GLU N N 15 1.4606 0.0666 . . . . . 15655 1 56 . 1 1 65 65 ALA N N 15 1.549 0.0352 . . . . . 15655 1 57 . 1 1 66 66 LEU N N 15 1.4959 0.0403 . . . . . 15655 1 58 . 1 1 67 67 ARG N N 15 1.68 0.0263 . . . . . 15655 1 59 . 1 1 68 68 LYS N N 15 1.8045 0.0296 . . . . . 15655 1 60 . 1 1 70 70 HIS N N 15 2.0153 0.0687 . . . . . 15655 1 61 . 1 1 71 71 SER N N 15 1.8367 0.0652 . . . . . 15655 1 62 . 1 1 74 74 GLY N N 15 0.9317 0.0079 . . . . . 15655 1 stop_ save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_heteronuclear_T1rho_list_1 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronuclear_T1rho_list_1 _Heteronucl_T1rho_list.Entry_ID 15655 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 600 _Heteronucl_T1rho_list.Temp_calibration_method . _Heteronucl_T1rho_list.Temp_control_method . _Heteronucl_T1rho_list.T1rho_coherence_type Nz _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 9 relaxation . . . 15655 1 stop_ loop_ _Heteronucl_T1rho_software.Software_ID _Heteronucl_T1rho_software.Software_label _Heteronucl_T1rho_software.Method_ID _Heteronucl_T1rho_software.Method_label _Heteronucl_T1rho_software.Entry_ID _Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID 3 $NMRView . . 15655 1 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 2 2 ASP N N 15 8.9457 0.8967 . . . . 2 ASP N 15655 1 2 . 1 1 3 3 MET N N 15 9.6128 0.2013 . . . . 3 MET N 15655 1 3 . 1 1 4 4 SER N N 15 11.2388 0.1707 . . . . 4 SER N 15655 1 4 . 1 1 5 5 ASN N N 15 10.6363 0.2382 . . . . 5 ASN N 15655 1 5 . 1 1 6 6 VAL N N 15 12.6678 0.2838 . . . . 6 VAL N 15655 1 6 . 1 1 7 7 VAL N N 15 11.5148 0.9311 . . . . 7 VAL N 15655 1 7 . 1 1 8 8 LYS N N 15 13.5789 0.6266 . . . . 8 LYS N 15655 1 8 . 1 1 9 9 THR N N 15 12.6497 0.4966 . . . . 9 THR N 15655 1 9 . 1 1 10 10 TYR N N 15 12.2297 0.7709 . . . . 10 TYR N 15655 1 10 . 1 1 11 11 ASP N N 15 11.4458 0.42 . . . . 11 ASP N 15655 1 11 . 1 1 12 12 LEU N N 15 13.7936 1.0005 . . . . 12 LEU N 15655 1 12 . 1 1 14 14 ASP N N 15 12.7163 0.2663 . . . . 14 ASP N 15655 1 13 . 1 1 15 15 GLY N N 15 12.1062 0.4517 . . . . 15 GLY N 15655 1 14 . 1 1 16 16 SER N N 15 15.2723 0.5527 . . . . 16 SER N 15655 1 15 . 1 1 17 17 LYS N N 15 13.5285 0.5694 . . . . 17 LYS N 15655 1 16 . 1 1 18 18 VAL N N 15 12.397 0.527 . . . . 18 VAL N 15655 1 17 . 1 1 19 19 HIS N N 15 12.9641 0.5858 . . . . 19 HIS N 15655 1 18 . 1 1 20 20 VAL N N 15 11.8605 0.638 . . . . 20 VAL N 15655 1 19 . 1 1 22 22 LYS N N 15 13.8381 0.5692 . . . . 22 LYS N 15655 1 20 . 1 1 23 23 ASP N N 15 12.2807 0.2931 . . . . 23 ASP N 15655 1 21 . 1 1 25 25 LYS N N 15 12.4267 0.4428 . . . . 25 LYS N 15655 1 22 . 1 1 26 26 MET N N 15 11.7272 0.2287 . . . . 26 MET N 15655 1 23 . 1 1 27 27 GLY N N 15 10.5291 0.3715 . . . . 27 GLY N 15655 1 24 . 1 1 28 28 MET N N 15 11.7221 0.3942 . . . . 28 MET N 15655 1 25 . 1 1 29 29 GLU N N 15 13.0209 0.5649 . . . . 29 GLU N 15655 1 26 . 1 1 30 30 ASN N N 15 13.6017 0.381 . . . . 30 ASN N 15655 1 27 . 1 1 31 31 LYS N N 15 13.0284 0.3866 . . . . 31 LYS N 15655 1 28 . 1 1 32 32 PHE N N 15 12.5387 0.339 . . . . 32 PHE N 15655 1 29 . 1 1 34 34 LYS N N 15 12.5337 0.2721 . . . . 34 LYS N 15655 1 30 . 1 1 35 35 SER N N 15 13.468 0.3016 . . . . 35 SER N 15655 1 31 . 1 1 37 37 ASN N N 15 10.8665 0.2472 . . . . 37 ASN N 15655 1 32 . 1 1 38 38 MET N N 15 9.8971 0.3788 . . . . 38 MET N 15655 1 33 . 1 1 40 40 GLU N N 15 10.3349 0.275 . . . . 40 GLU N 15655 1 34 . 1 1 41 41 GLY N N 15 12.3203 0.8566 . . . . 41 GLY N 15655 1 35 . 1 1 42 42 LYS N N 15 13.4662 0.5455 . . . . 42 LYS N 15655 1 36 . 1 1 43 43 VAL N N 15 11.6946 0.6285 . . . . 43 VAL N 15655 1 37 . 1 1 44 44 MET N N 15 11.2438 0.6799 . . . . 44 MET N 15655 1 38 . 1 1 45 45 GLU N N 15 11.1971 0.4039 . . . . 45 GLU N 15655 1 39 . 1 1 46 46 THR N N 15 13.9898 0.8755 . . . . 46 THR N 15655 1 40 . 1 1 47 47 ARG N N 15 13.4517 0.8507 . . . . 47 ARG N 15655 1 41 . 1 1 48 48 ASP N N 15 11.9893 0.4909 . . . . 48 ASP N 15655 1 42 . 1 1 49 49 GLY N N 15 11.1578 0.5844 . . . . 49 GLY N 15655 1 43 . 1 1 50 50 THR N N 15 15.4747 0.7838 . . . . 50 THR N 15655 1 44 . 1 1 51 51 LYS N N 15 13.4704 0.7456 . . . . 51 LYS N 15655 1 45 . 1 1 52 52 ILE N N 15 13.9547 1.0339 . . . . 52 ILE N 15655 1 46 . 1 1 53 53 ILE N N 15 14.405 0.8324 . . . . 53 ILE N 15655 1 47 . 1 1 54 54 MET N N 15 11.547 1.1205 . . . . 54 MET N 15655 1 48 . 1 1 55 55 LYS N N 15 12.7155 0.7703 . . . . 55 LYS N 15655 1 49 . 1 1 56 56 GLY N N 15 14.372 1.0408 . . . . 56 GLY N 15655 1 50 . 1 1 57 57 ASN N N 15 28.7852 3.272 . . . . 57 ASN N 15655 1 51 . 1 1 58 58 GLU N N 15 13.9539 0.5894 . . . . 58 GLU N 15655 1 52 . 1 1 59 59 ILE N N 15 12.054 1.0317 . . . . 59 ILE N 15655 1 53 . 1 1 61 61 ARG N N 15 13.6467 0.8562 . . . . 61 ARG N 15655 1 54 . 1 1 62 62 LEU N N 15 13.4495 1.1594 . . . . 62 LEU N 15655 1 55 . 1 1 63 63 ASP N N 15 12.8461 1.2977 . . . . 63 ASP N 15655 1 56 . 1 1 64 64 GLU N N 15 10.3845 0.6227 . . . . 64 GLU N 15655 1 57 . 1 1 65 65 ALA N N 15 9.8871 0.2833 . . . . 65 ALA N 15655 1 58 . 1 1 66 66 LEU N N 15 9.3854 0.3195 . . . . 66 LEU N 15655 1 59 . 1 1 67 67 ARG N N 15 7.3424 0.1425 . . . . 67 ARG N 15655 1 60 . 1 1 68 68 LYS N N 15 5.7845 0.1212 . . . . 68 LYS N 15655 1 61 . 1 1 69 69 GLY N N 15 4.858 0.1139 . . . . 69 GLY N 15655 1 62 . 1 1 70 70 HIS N N 15 5.4335 0.2604 . . . . 70 HIS N 15655 1 63 . 1 1 71 71 SER N N 15 6.6681 0.3514 . . . . 71 SER N 15655 1 64 . 1 1 72 72 GLU N N 15 3.5829 0.0537 . . . . 72 GLU N 15655 1 65 . 1 1 74 74 GLY N N 15 7.1946 0.0598 . . . . 74 GLY N 15655 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15655 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 9 '3D 15N NOESY-HSQC' . . . 15655 1 11 relaxation . . . 15655 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $NMRView . . 15655 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ASP N N 15 8.4343 0.762 . . . . . . . 15655 1 2 . 1 1 3 3 MET N N 15 9.4679 0.1773 . . . . . . . 15655 1 3 . 1 1 4 4 SER N N 15 11.0864 0.1512 . . . . . . . 15655 1 4 . 1 1 5 5 ASN N N 15 10.4596 0.2153 . . . . . . . 15655 1 5 . 1 1 6 6 VAL N N 15 13.1902 0.2617 . . . . . . . 15655 1 6 . 1 1 7 7 VAL N N 15 11.7319 0.8472 . . . . . . . 15655 1 7 . 1 1 8 8 LYS N N 15 14.5368 0.6011 . . . . . . . 15655 1 8 . 1 1 9 9 THR N N 15 12.7124 0.4602 . . . . . . . 15655 1 9 . 1 1 10 10 TYR N N 15 12.784 0.7288 . . . . . . . 15655 1 10 . 1 1 11 11 ASP N N 15 11.9036 0.3934 . . . . . . . 15655 1 11 . 1 1 12 12 LEU N N 15 14.295 0.9231 . . . . . . . 15655 1 12 . 1 1 14 14 ASP N N 15 13.18 0.2522 . . . . . . . 15655 1 13 . 1 1 15 15 GLY N N 15 13.9425 0.4909 . . . . . . . 15655 1 14 . 1 1 16 16 SER N N 15 14.8251 0.4754 . . . . . . . 15655 1 15 . 1 1 17 17 LYS N N 15 13.112 0.5064 . . . . . . . 15655 1 16 . 1 1 18 18 VAL N N 15 11.9869 0.4648 . . . . . . . 15655 1 17 . 1 1 19 19 HIS N N 15 13.1343 0.5342 . . . . . . . 15655 1 18 . 1 1 20 20 VAL N N 15 11.5684 0.5674 . . . . . . . 15655 1 19 . 1 1 22 22 LYS N N 15 14.1188 0.5287 . . . . . . . 15655 1 20 . 1 1 23 23 ASP N N 15 13.1225 0.287 . . . . . . . 15655 1 21 . 1 1 25 25 LYS N N 15 12.904 0.413 . . . . . . . 15655 1 22 . 1 1 26 26 MET N N 15 12.0949 0.2141 . . . . . . . 15655 1 23 . 1 1 27 27 GLY N N 15 11.822 0.3912 . . . . . . . 15655 1 24 . 1 1 28 28 MET N N 15 11.4891 0.3478 . . . . . . . 15655 1 25 . 1 1 29 29 GLU N N 15 13.7151 0.5247 . . . . . . . 15655 1 26 . 1 1 30 30 ASN N N 15 13.9994 0.345 . . . . . . . 15655 1 27 . 1 1 31 31 LYS N N 15 13.722 0.3645 . . . . . . . 15655 1 28 . 1 1 32 32 PHE N N 15 12.5423 0.3044 . . . . . . . 15655 1 29 . 1 1 34 34 LYS N N 15 12.3927 0.2464 . . . . . . . 15655 1 30 . 1 1 35 35 SER N N 15 13.4017 0.2713 . . . . . . . 15655 1 31 . 1 1 37 37 ASN N N 15 11.0717 0.2262 . . . . . . . 15655 1 32 . 1 1 38 38 MET N N 15 10.0296 0.344 . . . . . . . 15655 1 33 . 1 1 40 40 GLU N N 15 11.3577 0.2807 . . . . . . . 15655 1 34 . 1 1 41 41 GLY N N 15 12.7446 0.7979 . . . . . . . 15655 1 35 . 1 1 42 42 LYS N N 15 12.7829 0.4746 . . . . . . . 15655 1 36 . 1 1 43 43 VAL N N 15 13.0342 0.6593 . . . . . . . 15655 1 37 . 1 1 44 44 MET N N 15 12.7226 0.6981 . . . . . . . 15655 1 38 . 1 1 45 45 GLU N N 15 10.7828 0.3574 . . . . . . . 15655 1 39 . 1 1 46 46 THR N N 15 14.3118 0.7909 . . . . . . . 15655 1 40 . 1 1 47 47 ARG N N 15 13.7588 0.7915 . . . . . . . 15655 1 41 . 1 1 48 48 ASP N N 15 12.9022 0.4752 . . . . . . . 15655 1 42 . 1 1 49 49 GLY N N 15 14.8098 0.7246 . . . . . . . 15655 1 43 . 1 1 50 50 THR N N 15 16.1881 0.7398 . . . . . . . 15655 1 44 . 1 1 51 51 LYS N N 15 15.1399 0.7728 . . . . . . . 15655 1 45 . 1 1 52 52 ILE N N 15 15.5415 1.0377 . . . . . . . 15655 1 46 . 1 1 53 53 ILE N N 15 16.3227 0.8113 . . . . . . . 15655 1 47 . 1 1 54 54 MET N N 15 13.9101 1.1826 . . . . . . . 15655 1 48 . 1 1 55 55 LYS N N 15 13.101 0.7021 . . . . . . . 15655 1 49 . 1 1 56 56 GLY N N 15 16.8843 1.0544 . . . . . . . 15655 1 50 . 1 1 57 57 ASN N N 15 28.8818 2.8294 . . . . . . . 15655 1 51 . 1 1 58 58 GLU N N 15 14.8258 0.5669 . . . . . . . 15655 1 52 . 1 1 59 59 ILE N N 15 12.4241 0.9906 . . . . . . . 15655 1 53 . 1 1 61 61 ARG N N 15 13.5589 0.7648 . . . . . . . 15655 1 54 . 1 1 62 62 LEU N N 15 16.2948 1.3088 . . . . . . . 15655 1 55 . 1 1 63 63 ASP N N 15 18.7535 1.6359 . . . . . . . 15655 1 56 . 1 1 64 64 GLU N N 15 14.5082 0.7669 . . . . . . . 15655 1 57 . 1 1 65 65 ALA N N 15 9.6623 0.2603 . . . . . . . 15655 1 58 . 1 1 66 66 LEU N N 15 10.1994 0.3155 . . . . . . . 15655 1 59 . 1 1 67 67 ARG N N 15 7.0621 0.1285 . . . . . . . 15655 1 60 . 1 1 69 69 GLY N N 15 5.2353 0.1125 . . . . . . . 15655 1 61 . 1 1 70 70 HIS N N 15 5.9776 0.2606 . . . . . . . 15655 1 62 . 1 1 71 71 SER N N 15 7.2804 0.363 . . . . . . . 15655 1 63 . 1 1 74 74 GLY N N 15 8.6958 0.0689 . . . . . . . 15655 1 stop_ save_